Hugging Face's logo

Datasets:
SchwallerGroup
/
uspto_ozonolysis

Modalities:
Tabular
Text
Formats:
parquet
Size:
< 1K
Libraries:
Datasets
pandas
Polars
Dataset card Data Studio Files
xet
 Community
Dataset Viewer
Auto-converted to Parquet Duplicate
mech_smi_ori
stringlengths
61
204
rxn_idx
int64
0
39
step_idx_retro
int64
0
4
source
stringclasses
30 values
source_db
stringclasses
1 value
split
stringclasses
1 value
rxn_length
int64
5
5
step_idx_forward
int64
0
4
equ_with_last_step
bool
1 class
mech_smi_equ
stringlengths
61
204
elem_reac_equ
stringlengths
30
152
elem_prod_equ
stringlengths
30
152
mech_smi_min
stringlengths
53
157
elem_reac_min
stringlengths
18
104
elem_prod_min
stringlengths
18
104
elem_reac_spe
stringlengths
37
234
rxn_prod_equ
stringclasses
40 values
rxn_prod_min
stringclasses
40 values
CNC1=C([CH:1]=[CH2:2])C=NC(Cl)=N1.CO.CSC.ClC(Cl)Cl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
2
4
reaction_0
USPTO_ozonolysis
train
5
0
true
CNC1=C([CH:1]=[CH2:2])C=NC(Cl)=N1.CO.CSC.ClC(Cl)Cl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CC1=C(NC)N=C(Cl)N=C1.CO.CSC.ClC(Cl)Cl.O=[O+][O-]
CNC1=C(C2COOO2)C=NC(Cl)=N1.CO.CSC.ClC(Cl)Cl
CNC1=C([CH:1]=[CH2:2])C=NC(Cl)=N1.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CC1=C(NC)N=C(Cl)N=C1.O=[O+][O-]
CNC1=C(C2COOO2)C=NC(Cl)=N1
C=CC1=C(NC)N=C(Cl)N=C1.CO.CSC.ClC(Cl)Cl.O=[O+][O-]
C=O.CNC1=NC(Cl)=NC=C1C=O.CO.CS(C)=O.ClC(Cl)Cl
C=O.CNC1=NC(Cl)=NC=C1C=O.CS(C)=O
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(C[CH:1]=[CH2:2])(C2=CC=C(F)C=C2)OC1=O.ClCCl.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
19
4
reaction_0
USPTO_ozonolysis
train
5
0
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(C[CH:1]=[CH2:2])(C2=CC=C(F)C=C2)OC1=O.ClCCl.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCC1(C2=CC=C(F)C=C2)CCN(C(C)C2=CC=C(F)C=C2)C(=O)O1.ClCCl.O=[O+][O-]
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(CC2COOO2)(C2=CC=C(F)C=C2)OC1=O.ClCCl
CC(C1=CC=C(F)C=C1)N1CCC(C[CH:1]=[CH2:2])(C2=CC=C(F)C=C2)OC1=O.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
C=CCC1(C2=CC=C(F)C=C2)CCN(C(C)C2=CC=C(F)C=C2)C(=O)O1.O=[O+][O-]
CC(C1=CC=C(F)C=C1)N1CCC(CC2COOO2)(C2=CC=C(F)C=C2)OC1=O
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CC1=C(NC)N=C(Cl)N=C1.C=CCC1(C2=CC=C(F)C=C2)CCN(C(C)C2=CC=C(F)C=C2)C(=O)O1.CO.CSC.ClC(Cl)Cl.ClCCl.O=[O+][O-]
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=O)(C2=CC=C(F)C=C2)OC1=O.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=O)(C2=CC=C(F)C=C2)OC1=O.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CSC.C[C:1](C)=[CH:2]N1C(=O)C2N=C(CC3=CC=CC=C3)OC21.ClCCl.O.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
28
4
reaction_0
USPTO_ozonolysis
train
5
0
true
CSC.C[C:1](C)=[CH:2]N1C(=O)C2N=C(CC3=CC=CC=C3)OC21.ClCCl.O.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
CC(C)=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21.CSC.ClCCl.O.O=[O+][O-]
CC1(C)OOOC1N1C(=O)C2N=C(CC3=CC=CC=C3)OC21.CSC.ClCCl.O
C[C:1](C)=[CH:2]N1C(=O)C2N=C(CC3=CC=CC=C3)OC21.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
CC(C)=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21.O=[O+][O-]
CC1(C)OOOC1N1C(=O)C2N=C(CC3=CC=CC=C3)OC21
C=CC1=C(NC)N=C(Cl)N=C1.CC(C)=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21.CO.CSC.ClC(Cl)Cl.ClCCl.O.O=[O+][O-]
CC(C)=O.CS(C)=O.ClCCl.O.O=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21
CC(C)=O.CS(C)=O.O=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21
CNC1=NC(Cl)=NC=C1[CH:1]1[CH2:2][O:3][O:4][O:5]1.CO.CSC.ClC(Cl)Cl|(5, 1);((1, 2), 3);((3, 4), 4)
2
3
reaction_0
USPTO_ozonolysis
train
5
1
true
CNC1=NC(Cl)=NC=C1[CH:1]1[CH2:2][O:3][O:4][O:5]1.CO.CSC.ClC(Cl)Cl|(5, 1);((1, 2), 3);((3, 4), 4)
CNC1=NC(Cl)=NC=C1C1COOO1.CO.CSC.ClC(Cl)Cl
C=O.CNC1=NC(Cl)=NC=C1C=[O+][O-].CO.CSC.ClC(Cl)Cl
CNC1=NC(Cl)=NC=C1[CH:1]1[CH2:2][O:3][O:4][O:5]1|(5, 1);((1, 2), 3);((3, 4), 4)
CNC1=NC(Cl)=NC=C1C1COOO1
C=O.CNC1=NC(Cl)=NC=C1C=[O+][O-]
C=CC1=C(NC)N=C(Cl)N=C1.CNC1=NC(Cl)=NC=C1C1COOO1.CO.CSC.ClC(Cl)Cl.O=[O+][O-]
C=O.CNC1=NC(Cl)=NC=C1C=O.CO.CS(C)=O.ClC(Cl)Cl
C=O.CNC1=NC(Cl)=NC=C1C=O.CS(C)=O
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(C[CH:1]2[CH2:2][O:3][O:4][O:5]2)(C2=CC=C(F)C=C2)OC1=O.ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
19
3
reaction_0
USPTO_ozonolysis
train
5
1
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(C[CH:1]2[CH2:2][O:3][O:4][O:5]2)(C2=CC=C(F)C=C2)OC1=O.ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(CC2COOO2)(C2=CC=C(F)C=C2)OC1=O.ClCCl
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=[O+][O-])(C2=CC=C(F)C=C2)OC1=O.ClCCl
CC(C1=CC=C(F)C=C1)N1CCC(C[CH:1]2[CH2:2][O:3][O:4][O:5]2)(C2=CC=C(F)C=C2)OC1=O|(5, 1);((1, 2), 3);((3, 4), 4)
CC(C1=CC=C(F)C=C1)N1CCC(CC2COOO2)(C2=CC=C(F)C=C2)OC1=O
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=[O+][O-])(C2=CC=C(F)C=C2)OC1=O
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CC1=C(NC)N=C(Cl)N=C1.CC(C1=CC=C(F)C=C1)N1CCC(CC2COOO2)(C2=CC=C(F)C=C2)OC1=O.CO.CSC.ClC(Cl)Cl.ClCCl.O=[O+][O-]
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=O)(C2=CC=C(F)C=C2)OC1=O.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=O)(C2=CC=C(F)C=C2)OC1=O.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CSC.C[C:1]1(C)[O:2][O:3][O:4][CH:5]1N1C(=O)C2N=C(CC3=CC=CC=C3)OC21.ClCCl.O|(4, 5);((5, 1), 2);((2, 3), 3)
28
3
reaction_0
USPTO_ozonolysis
train
5
1
true
CSC.C[C:1]1(C)[O:2][O:3][O:4][CH:5]1N1C(=O)C2N=C(CC3=CC=CC=C3)OC21.ClCCl.O|(4, 5);((5, 1), 2);((2, 3), 3)
CC1(C)OOOC1N1C(=O)C2N=C(CC3=CC=CC=C3)OC21.CSC.ClCCl.O
CC(C)=O.CSC.ClCCl.O.O=C1C2N=C(CC3=CC=CC=C3)OC2N1C=[O+][O-]
C[C:1]1(C)[O:2][O:3][O:4][CH:5]1N1C(=O)C2N=C(CC3=CC=CC=C3)OC21|(4, 5);((5, 1), 2);((2, 3), 3)
CC1(C)OOOC1N1C(=O)C2N=C(CC3=CC=CC=C3)OC21
CC(C)=O.O=C1C2N=C(CC3=CC=CC=C3)OC2N1C=[O+][O-]
C=CC1=C(NC)N=C(Cl)N=C1.CC1(C)OOOC1N1C(=O)C2N=C(CC3=CC=CC=C3)OC21.CO.CSC.ClC(Cl)Cl.ClCCl.O.O=[O+][O-]
CC(C)=O.CS(C)=O.ClCCl.O.O=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21
CC(C)=O.CS(C)=O.O=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21
CNC1=NC(Cl)=NC=C1[CH:3]=[O+:4][O-:5].CO.CSC.ClC(Cl)Cl.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
2
2
reaction_0
USPTO_ozonolysis
train
5
2
true
CNC1=NC(Cl)=NC=C1[CH:3]=[O+:4][O-:5].CO.CSC.ClC(Cl)Cl.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.CNC1=NC(Cl)=NC=C1C=[O+][O-].CO.CSC.ClC(Cl)Cl
CNC1=NC(Cl)=NC=C1C1OCOO1.CO.CSC.ClC(Cl)Cl
CNC1=NC(Cl)=NC=C1[CH:3]=[O+:4][O-:5].[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.CNC1=NC(Cl)=NC=C1C=[O+][O-]
CNC1=NC(Cl)=NC=C1C1OCOO1
C=CC1=C(NC)N=C(Cl)N=C1.C=O.CNC1=NC(Cl)=NC=C1C=[O+][O-].CO.CSC.ClC(Cl)Cl.O=[O+][O-]
C=O.CNC1=NC(Cl)=NC=C1C=O.CO.CS(C)=O.ClC(Cl)Cl
C=O.CNC1=NC(Cl)=NC=C1C=O.CS(C)=O
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(C[CH:1]=[O+:2][O-:3])(C2=CC=C(F)C=C2)OC1=O.ClCCl.[CH2:4]=[O:5]|(3, 4);((4, 5), 1);((1, 2), 2)
19
2
reaction_0
USPTO_ozonolysis
train
5
2
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(C[CH:1]=[O+:2][O-:3])(C2=CC=C(F)C=C2)OC1=O.ClCCl.[CH2:4]=[O:5]|(3, 4);((4, 5), 1);((1, 2), 2)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=[O+][O-])(C2=CC=C(F)C=C2)OC1=O.ClCCl
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(CC2OCOO2)(C2=CC=C(F)C=C2)OC1=O.ClCCl
CC(C1=CC=C(F)C=C1)N1CCC(C[CH:1]=[O+:2][O-:3])(C2=CC=C(F)C=C2)OC1=O.[CH2:4]=[O:5]|(3, 4);((4, 5), 1);((1, 2), 2)
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=[O+][O-])(C2=CC=C(F)C=C2)OC1=O
CC(C1=CC=C(F)C=C1)N1CCC(CC2OCOO2)(C2=CC=C(F)C=C2)OC1=O
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CC1=C(NC)N=C(Cl)N=C1.C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=[O+][O-])(C2=CC=C(F)C=C2)OC1=O.CO.CSC.ClC(Cl)Cl.ClCCl.O=[O+][O-]
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=O)(C2=CC=C(F)C=C2)OC1=O.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=O)(C2=CC=C(F)C=C2)OC1=O.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CSC.C[C:1](C)=[O:2].ClCCl.O.O=C1C2N=C(CC3=CC=CC=C3)OC2N1[CH:3]=[O+:4][O-:5]|(5, 1);((1, 2), 3);((3, 4), 4)
28
2
reaction_0
USPTO_ozonolysis
train
5
2
true
CSC.C[C:1](C)=[O:2].ClCCl.O.O=C1C2N=C(CC3=CC=CC=C3)OC2N1[CH:3]=[O+:4][O-:5]|(5, 1);((1, 2), 3);((3, 4), 4)
CC(C)=O.CSC.ClCCl.O.O=C1C2N=C(CC3=CC=CC=C3)OC2N1C=[O+][O-]
CC1(C)OOC(N2C(=O)C3N=C(CC4=CC=CC=C4)OC32)O1.CSC.ClCCl.O
C[C:1](C)=[O:2].O=C1C2N=C(CC3=CC=CC=C3)OC2N1[CH:3]=[O+:4][O-:5]|(5, 1);((1, 2), 3);((3, 4), 4)
CC(C)=O.O=C1C2N=C(CC3=CC=CC=C3)OC2N1C=[O+][O-]
CC1(C)OOC(N2C(=O)C3N=C(CC4=CC=CC=C4)OC32)O1
C=CC1=C(NC)N=C(Cl)N=C1.CC(C)=O.CO.CSC.ClC(Cl)Cl.ClCCl.O.O=C1C2N=C(CC3=CC=CC=C3)OC2N1C=[O+][O-].O=[O+][O-]
CC(C)=O.CS(C)=O.ClCCl.O.O=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21
CC(C)=O.CS(C)=O.O=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21
CNC1=NC(Cl)=NC=C1C1OC[O:2][O:3]1.CO.C[S:1]C.ClC(Cl)Cl|(1, 2);((2, 3), 3)
2
1
reaction_0
USPTO_ozonolysis
train
5
3
true
CNC1=NC(Cl)=NC=C1C1OC[O:2][O:3]1.CO.C[S:1]C.ClC(Cl)Cl|(1, 2);((2, 3), 3)
CNC1=NC(Cl)=NC=C1C1OCOO1.CO.CSC.ClC(Cl)Cl
CNC1=NC(Cl)=NC=C1C([O-])OCO[S+](C)C.CO.ClC(Cl)Cl
CNC1=NC(Cl)=NC=C1C1OC[O:2][O:3]1.C[S:1]C|(1, 2);((2, 3), 3)
CNC1=NC(Cl)=NC=C1C1OCOO1.CSC
CNC1=NC(Cl)=NC=C1C([O-])OCO[S+](C)C
C=CC1=C(NC)N=C(Cl)N=C1.CNC1=NC(Cl)=NC=C1C1OCOO1.CO.CSC.ClC(Cl)Cl.O=[O+][O-]
C=O.CNC1=NC(Cl)=NC=C1C=O.CO.CS(C)=O.ClC(Cl)Cl
C=O.CNC1=NC(Cl)=NC=C1C=O.CS(C)=O
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(CC2OC[O:1][O:3]2)(C2=CC=C(F)C=C2)OC1=O.ClCCl|(2, 3);((3, 1), 1)
19
1
reaction_0
USPTO_ozonolysis
train
5
3
true
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(CC2OC[O:1][O:3]2)(C2=CC=C(F)C=C2)OC1=O.ClCCl|(2, 3);((3, 1), 1)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(CC2OCOO2)(C2=CC=C(F)C=C2)OC1=O.ClCCl
CC(C1=CC=C(F)C=C1)N1CCC(CC(OC[O-])O[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)(C2=CC=C(F)C=C2)OC1=O.ClCCl
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(CC2OC[O:1][O:3]2)(C2=CC=C(F)C=C2)OC1=O|(2, 3);((3, 1), 1)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C1=CC=C(F)C=C1)N1CCC(CC2OCOO2)(C2=CC=C(F)C=C2)OC1=O
CC(C1=CC=C(F)C=C1)N1CCC(CC(OC[O-])O[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)(C2=CC=C(F)C=C2)OC1=O
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CC1=C(NC)N=C(Cl)N=C1.CC(C1=CC=C(F)C=C1)N1CCC(CC2OCOO2)(C2=CC=C(F)C=C2)OC1=O.CO.CSC.ClC(Cl)Cl.ClCCl.O=[O+][O-]
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=O)(C2=CC=C(F)C=C2)OC1=O.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=O)(C2=CC=C(F)C=C2)OC1=O.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CC1(C)OC(N2C(=O)C3N=C(CC4=CC=CC=C4)OC32)[O:3][O:2]1.C[S:1]C.ClCCl.O|(1, 3);((3, 2), 2)
28
1
reaction_0
USPTO_ozonolysis
train
5
3
true
CC1(C)OC(N2C(=O)C3N=C(CC4=CC=CC=C4)OC32)[O:3][O:2]1.C[S:1]C.ClCCl.O|(1, 3);((3, 2), 2)
CC1(C)OOC(N2C(=O)C3N=C(CC4=CC=CC=C4)OC32)O1.CSC.ClCCl.O
C[S+](C)OC(OC(C)(C)[O-])N1C(=O)C2N=C(CC3=CC=CC=C3)OC21.ClCCl.O
CC1(C)OC(N2C(=O)C3N=C(CC4=CC=CC=C4)OC32)[O:3][O:2]1.C[S:1]C|(1, 3);((3, 2), 2)
CC1(C)OOC(N2C(=O)C3N=C(CC4=CC=CC=C4)OC32)O1.CSC
C[S+](C)OC(OC(C)(C)[O-])N1C(=O)C2N=C(CC3=CC=CC=C3)OC21
C=CC1=C(NC)N=C(Cl)N=C1.CC1(C)OOC(N2C(=O)C3N=C(CC4=CC=CC=C4)OC32)O1.CO.CSC.ClC(Cl)Cl.ClCCl.O.O=[O+][O-]
CC(C)=O.CS(C)=O.ClCCl.O.O=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21
CC(C)=O.CS(C)=O.O=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21
CNC1=NC(Cl)=NC=C1[CH:1]([O-:2])[O:3][CH2:4][O:5][S+:6](C)C.CO.ClC(Cl)Cl|(2, 1);((1, 3), 4);((4, 5), 6)
2
0
reaction_0
USPTO_ozonolysis
train
5
4
true
CNC1=NC(Cl)=NC=C1[CH:1]([O-:2])[O:3][CH2:4][O:5][S+:6](C)C.CO.ClC(Cl)Cl|(2, 1);((1, 3), 4);((4, 5), 6)
CNC1=NC(Cl)=NC=C1C([O-])OCO[S+](C)C.CO.ClC(Cl)Cl
C=O.CNC1=NC(Cl)=NC=C1C=O.CO.CS(C)=O.ClC(Cl)Cl
CNC1=NC(Cl)=NC=C1[CH:1]([O-:2])[O:3][CH2:4][O:5][S+:6](C)C|(2, 1);((1, 3), 4);((4, 5), 6)
CNC1=NC(Cl)=NC=C1C([O-])OCO[S+](C)C
C=O.CNC1=NC(Cl)=NC=C1C=O.CS(C)=O
C=CC1=C(NC)N=C(Cl)N=C1.CNC1=NC(Cl)=NC=C1C([O-])OCO[S+](C)C.CO.CSC.ClC(Cl)Cl.O=[O+][O-]
C=O.CNC1=NC(Cl)=NC=C1C=O.CO.CS(C)=O.ClC(Cl)Cl
C=O.CNC1=NC(Cl)=NC=C1C=O.CS(C)=O
CC(C1=CC=C(F)C=C1)N1CCC(C[CH:1]([O:2][CH2:3][O-:4])[O:5][P+:6](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)(C2=CC=C(F)C=C2)OC1=O.ClCCl|(4, 3);((3, 2), 1);((1, 5), 6)
19
0
reaction_0
USPTO_ozonolysis
train
5
4
true
CC(C1=CC=C(F)C=C1)N1CCC(C[CH:1]([O:2][CH2:3][O-:4])[O:5][P+:6](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)(C2=CC=C(F)C=C2)OC1=O.ClCCl|(4, 3);((3, 2), 1);((1, 5), 6)
CC(C1=CC=C(F)C=C1)N1CCC(CC(OC[O-])O[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)(C2=CC=C(F)C=C2)OC1=O.ClCCl
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=O)(C2=CC=C(F)C=C2)OC1=O.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CC(C1=CC=C(F)C=C1)N1CCC(C[CH:1]([O:2][CH2:3][O-:4])[O:5][P+:6](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)(C2=CC=C(F)C=C2)OC1=O|(4, 3);((3, 2), 1);((1, 5), 6)
CC(C1=CC=C(F)C=C1)N1CCC(CC(OC[O-])O[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)(C2=CC=C(F)C=C2)OC1=O
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=O)(C2=CC=C(F)C=C2)OC1=O.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=CC1=C(NC)N=C(Cl)N=C1.CC(C1=CC=C(F)C=C1)N1CCC(CC(OC[O-])O[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)(C2=CC=C(F)C=C2)OC1=O.CO.CSC.ClC(Cl)Cl.ClCCl.O=[O+][O-]
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=O)(C2=CC=C(F)C=C2)OC1=O.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.CC(C1=CC=C(F)C=C1)N1CCC(CC=O)(C2=CC=C(F)C=C2)OC1=O.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C[S+:1](C)[O:2][CH:3](N1C(=O)C2N=C(CC3=CC=CC=C3)OC21)[O:4][C:5](C)(C)[O-:6].ClCCl.O|(6, 5);((5, 4), 3);((3, 2), 1)
28
0
reaction_0
USPTO_ozonolysis
train
5
4
true
C[S+:1](C)[O:2][CH:3](N1C(=O)C2N=C(CC3=CC=CC=C3)OC21)[O:4][C:5](C)(C)[O-:6].ClCCl.O|(6, 5);((5, 4), 3);((3, 2), 1)
C[S+](C)OC(OC(C)(C)[O-])N1C(=O)C2N=C(CC3=CC=CC=C3)OC21.ClCCl.O
CC(C)=O.CS(C)=O.ClCCl.O.O=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21
C[S+:1](C)[O:2][CH:3](N1C(=O)C2N=C(CC3=CC=CC=C3)OC21)[O:4][C:5](C)(C)[O-:6]|(6, 5);((5, 4), 3);((3, 2), 1)
C[S+](C)OC(OC(C)(C)[O-])N1C(=O)C2N=C(CC3=CC=CC=C3)OC21
CC(C)=O.CS(C)=O.O=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21
C=CC1=C(NC)N=C(Cl)N=C1.CO.CSC.C[S+](C)OC(OC(C)(C)[O-])N1C(=O)C2N=C(CC3=CC=CC=C3)OC21.ClC(Cl)Cl.ClCCl.O.O=[O+][O-]
CC(C)=O.CS(C)=O.ClCCl.O.O=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21
CC(C)=O.CS(C)=O.O=CN1C(=O)C2N=C(CC3=CC=CC=C3)OC21
C1=CC=C([CH:1]=[C:2]2CCCC3=C2N=CC=C3)C=C1.CSC.ClCCl.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
36
4
reaction_1
USPTO_ozonolysis
train
5
0
true
C1=CC=C([CH:1]=[C:2]2CCCC3=C2N=CC=C3)C=C1.CSC.ClCCl.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
C(=C1CCCC2=C1N=CC=C2)C1=CC=CC=C1.CSC.ClCCl.O=[O+][O-]
C1=CC=C(C2OOOC23CCCC2=C3N=CC=C2)C=C1.CSC.ClCCl
C1=CC=C([CH:1]=[C:2]2CCCC3=C2N=CC=C3)C=C1.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
C(=C1CCCC2=C1N=CC=C2)C1=CC=CC=C1.O=[O+][O-]
C1=CC=C(C2OOOC23CCCC2=C3N=CC=C2)C=C1
C(=C1CCCC2=C1N=CC=C2)C1=CC=CC=C1.CSC.ClCCl.O=[O+][O-]
CS(C)=O.ClCCl.O=C1CCCC2=CC=CN=C12.O=CC1=CC=CC=C1
CS(C)=O.O=C1CCCC2=CC=CN=C12.O=CC1=CC=CC=C1
C1=CC=C([CH:1]2[O:2][O:3][O:4][C:5]23CCCC2=CC=CN=C23)C=C1.CSC.ClCCl|(4, 5);((5, 1), 2);((2, 3), 3)
36
3
reaction_1
USPTO_ozonolysis
train
5
1
true
C1=CC=C([CH:1]2[O:2][O:3][O:4][C:5]23CCCC2=CC=CN=C23)C=C1.CSC.ClCCl|(4, 5);((5, 1), 2);((2, 3), 3)
C1=CC=C(C2OOOC23CCCC2=CC=CN=C23)C=C1.CSC.ClCCl
CSC.ClCCl.O=CC1=CC=CC=C1.[O-][O+]=C1CCCC2=CC=CN=C12
C1=CC=C([CH:1]2[O:2][O:3][O:4][C:5]23CCCC2=CC=CN=C23)C=C1|(4, 5);((5, 1), 2);((2, 3), 3)
C1=CC=C(C2OOOC23CCCC2=CC=CN=C23)C=C1
O=CC1=CC=CC=C1.[O-][O+]=C1CCCC2=CC=CN=C12
C(=C1CCCC2=C1N=CC=C2)C1=CC=CC=C1.C1=CC=C(C2OOOC23CCCC2=CC=CN=C23)C=C1.CSC.ClCCl.O=[O+][O-]
CS(C)=O.ClCCl.O=C1CCCC2=CC=CN=C12.O=CC1=CC=CC=C1
CS(C)=O.O=C1CCCC2=CC=CN=C12.O=CC1=CC=CC=C1
C1=CC=C([CH:2]=[O:1])C=C1.C1=CN=C2C(=C1)CCC[C:5]2=[O+:4][O-:3].CSC.ClCCl|(3, 2);((2, 1), 5);((5, 4), 4)
36
2
reaction_1
USPTO_ozonolysis
train
5
2
true
C1=CC=C([CH:2]=[O:1])C=C1.C1=CN=C2C(=C1)CCC[C:5]2=[O+:4][O-:3].CSC.ClCCl|(3, 2);((2, 1), 5);((5, 4), 4)
CSC.ClCCl.O=CC1=CC=CC=C1.[O-][O+]=C1CCCC2=CC=CN=C12
C1=CC=C(C2OOC3(CCCC4=CC=CN=C43)O2)C=C1.CSC.ClCCl
C1=CC=C([CH:2]=[O:1])C=C1.C1=CN=C2C(=C1)CCC[C:5]2=[O+:4][O-:3]|(3, 2);((2, 1), 5);((5, 4), 4)
O=CC1=CC=CC=C1.[O-][O+]=C1CCCC2=CC=CN=C12
C1=CC=C(C2OOC3(CCCC4=CC=CN=C43)O2)C=C1
C(=C1CCCC2=C1N=CC=C2)C1=CC=CC=C1.CSC.ClCCl.O=CC1=CC=CC=C1.O=[O+][O-].[O-][O+]=C1CCCC2=CC=CN=C12
CS(C)=O.ClCCl.O=C1CCCC2=CC=CN=C12.O=CC1=CC=CC=C1
CS(C)=O.O=C1CCCC2=CC=CN=C12.O=CC1=CC=CC=C1
C1=CC=C(C2OC3(CCCC4=CC=CN=C43)[O:3][O:1]2)C=C1.C[S:2]C.ClCCl|(2, 3);((3, 1), 1)
36
1
reaction_1
USPTO_ozonolysis
train
5
3
true
C1=CC=C(C2OC3(CCCC4=CC=CN=C43)[O:3][O:1]2)C=C1.C[S:2]C.ClCCl|(2, 3);((3, 1), 1)
C1=CC=C(C2OOC3(CCCC4=CC=CN=C43)O2)C=C1.CSC.ClCCl
C[S+](C)OC1(OC([O-])C2=CC=CC=C2)CCCC2=CC=CN=C21.ClCCl
C1=CC=C(C2OC3(CCCC4=CC=CN=C43)[O:3][O:1]2)C=C1.C[S:2]C|(2, 3);((3, 1), 1)
C1=CC=C(C2OOC3(CCCC4=CC=CN=C43)O2)C=C1.CSC
C[S+](C)OC1(OC([O-])C2=CC=CC=C2)CCCC2=CC=CN=C21
C(=C1CCCC2=C1N=CC=C2)C1=CC=CC=C1.C1=CC=C(C2OOC3(CCCC4=CC=CN=C43)O2)C=C1.CSC.ClCCl.O=[O+][O-]
CS(C)=O.ClCCl.O=C1CCCC2=CC=CN=C12.O=CC1=CC=CC=C1
CS(C)=O.O=C1CCCC2=CC=CN=C12.O=CC1=CC=CC=C1
C[S+:1](C)[O:2][C:3]1([O:4][CH:5](C2=CC=CC=C2)[O-:6])CCCC2=CC=CN=C21.ClCCl|(6, 5);((5, 4), 3);((3, 2), 1)
36
0
reaction_1
USPTO_ozonolysis
train
5
4
true
C[S+:1](C)[O:2][C:3]1([O:4][CH:5](C2=CC=CC=C2)[O-:6])CCCC2=CC=CN=C21.ClCCl|(6, 5);((5, 4), 3);((3, 2), 1)
C[S+](C)OC1(OC([O-])C2=CC=CC=C2)CCCC2=CC=CN=C21.ClCCl
CS(C)=O.ClCCl.O=C1CCCC2=CC=CN=C12.O=CC1=CC=CC=C1
C[S+:1](C)[O:2][C:3]1([O:4][CH:5](C2=CC=CC=C2)[O-:6])CCCC2=CC=CN=C21|(6, 5);((5, 4), 3);((3, 2), 1)
C[S+](C)OC1(OC([O-])C2=CC=CC=C2)CCCC2=CC=CN=C21
CS(C)=O.O=C1CCCC2=CC=CN=C12.O=CC1=CC=CC=C1
C(=C1CCCC2=C1N=CC=C2)C1=CC=CC=C1.CSC.C[S+](C)OC1(OC([O-])C2=CC=CC=C2)CCCC2=CC=CN=C21.ClCCl.O=[O+][O-]
CS(C)=O.ClCCl.O=C1CCCC2=CC=CN=C12.O=CC1=CC=CC=C1
CS(C)=O.O=C1CCCC2=CC=CN=C12.O=CC1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CC[CH:1]=[CH2:2])C(=O)N2CCOC2=O)OCCO1.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
7
4
reaction_10
USPTO_ozonolysis
train
5
0
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CC[CH:1]=[CH2:2])C(=O)N2CCOC2=O)OCCO1.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCCC(CCCC1(C)OCCO1)C(=O)N1CCOC1=O.ClCCl.O=[O+][O-]
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CCC2COOO2)C(=O)N2CCOC2=O)OCCO1.ClCCl
CC1(CCCC(CC[CH:1]=[CH2:2])C(=O)N2CCOC2=O)OCCO1.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CCCC(CCCC1(C)OCCO1)C(=O)N1CCOC1=O.O=[O+][O-]
CC1(CCCC(CCC2COOO2)C(=O)N2CCOC2=O)OCCO1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCCC(CCCC1(C)OCCO1)C(=O)N1CCOC1=O.ClCCl.O=[O+][O-]
C=O.CC1(CCCC(CCC=O)C(=O)N2CCOC2=O)OCCO1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.CC1(CCCC(CCC=O)C(=O)N2CCOC2=O)OCCO1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C[CH:1]=[CH2:2])C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
38
4
reaction_10
USPTO_ozonolysis
train
5
0
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C[CH:1]=[CH2:2])C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCC(C(=O)OC)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.O=[O+][O-]
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(CC1COOO1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl
COC(=O)C(C[CH:1]=[CH2:2])C(CC(=O)O)C1=CC=CC(F)=C1.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CCC(C(=O)OC)C(CC(=O)O)C1=CC=CC(F)=C1.O=[O+][O-]
COC(=O)C(CC1COOO1)C(CC(=O)O)C1=CC=CC(F)=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCC(C(=O)OC)C(CC(=O)O)C1=CC=CC(F)=C1.C=CCCC(CCCC1(C)OCCO1)C(=O)N1CCOC1=O.ClCCl.O=[O+][O-]
C=O.COC(=O)C(CC=O)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.COC(=O)C(CC=O)C(CC(=O)O)C1=CC=CC(F)=C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CC[CH:2]2[O:1][O:5][O:4][CH2:3]2)C(=O)N2CCOC2=O)OCCO1.ClCCl|(1, 2);((2, 3), 4);((4, 5), 5)
7
3
reaction_10
USPTO_ozonolysis
train
5
1
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CC[CH:2]2[O:1][O:5][O:4][CH2:3]2)C(=O)N2CCOC2=O)OCCO1.ClCCl|(1, 2);((2, 3), 4);((4, 5), 5)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CCC2COOO2)C(=O)N2CCOC2=O)OCCO1.ClCCl
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=O.CC1(CCCC(CCC=[O+][O-])C(=O)N2CCOC2=O)OCCO1.ClCCl
CC1(CCCC(CC[CH:2]2[O:1][O:5][O:4][CH2:3]2)C(=O)N2CCOC2=O)OCCO1|(1, 2);((2, 3), 4);((4, 5), 5)
CC1(CCCC(CCC2COOO2)C(=O)N2CCOC2=O)OCCO1
C=O.CC1(CCCC(CCC=[O+][O-])C(=O)N2CCOC2=O)OCCO1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCCC(CCCC1(C)OCCO1)C(=O)N1CCOC1=O.CC1(CCCC(CCC2COOO2)C(=O)N2CCOC2=O)OCCO1.ClCCl.O=[O+][O-]
C=O.CC1(CCCC(CCC=O)C(=O)N2CCOC2=O)OCCO1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.CC1(CCCC(CCC=O)C(=O)N2CCOC2=O)OCCO1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
38
3
reaction_10
USPTO_ozonolysis
train
5
1
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(CC1COOO1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=O.COC(=O)C(CC=[O+][O-])C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl
COC(=O)C(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)C(CC(=O)O)C1=CC=CC(F)=C1|(5, 1);((1, 2), 3);((3, 4), 4)
COC(=O)C(CC1COOO1)C(CC(=O)O)C1=CC=CC(F)=C1
C=O.COC(=O)C(CC=[O+][O-])C(CC(=O)O)C1=CC=CC(F)=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCCC(CCCC1(C)OCCO1)C(=O)N1CCOC1=O.COC(=O)C(CC1COOO1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.O=[O+][O-]
C=O.COC(=O)C(CC=O)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.COC(=O)C(CC=O)C(CC(=O)O)C1=CC=CC(F)=C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CC[CH:4]=[O+:5][O-:1])C(=O)N2CCOC2=O)OCCO1.ClCCl.[CH2:2]=[O:3]|(1, 2);((2, 3), 4);((4, 5), 5)
7
2
reaction_10
USPTO_ozonolysis
train
5
2
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CC[CH:4]=[O+:5][O-:1])C(=O)N2CCOC2=O)OCCO1.ClCCl.[CH2:2]=[O:3]|(1, 2);((2, 3), 4);((4, 5), 5)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=O.CC1(CCCC(CCC=[O+][O-])C(=O)N2CCOC2=O)OCCO1.ClCCl
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CCC2OCOO2)C(=O)N2CCOC2=O)OCCO1.ClCCl
CC1(CCCC(CC[CH:4]=[O+:5][O-:1])C(=O)N2CCOC2=O)OCCO1.[CH2:2]=[O:3]|(1, 2);((2, 3), 4);((4, 5), 5)
C=O.CC1(CCCC(CCC=[O+][O-])C(=O)N2CCOC2=O)OCCO1
CC1(CCCC(CCC2OCOO2)C(=O)N2CCOC2=O)OCCO1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCCC(CCCC1(C)OCCO1)C(=O)N1CCOC1=O.C=O.CC1(CCCC(CCC=[O+][O-])C(=O)N2CCOC2=O)OCCO1.ClCCl.O=[O+][O-]
C=O.CC1(CCCC(CCC=O)C(=O)N2CCOC2=O)OCCO1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.CC1(CCCC(CCC=O)C(=O)N2CCOC2=O)OCCO1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C[CH:3]=[O+:4][O-:5])C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
38
2
reaction_10
USPTO_ozonolysis
train
5
2
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C[CH:3]=[O+:4][O-:5])C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=O.COC(=O)C(CC=[O+][O-])C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(CC1OCOO1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl
COC(=O)C(C[CH:3]=[O+:4][O-:5])C(CC(=O)O)C1=CC=CC(F)=C1.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.COC(=O)C(CC=[O+][O-])C(CC(=O)O)C1=CC=CC(F)=C1
COC(=O)C(CC1OCOO1)C(CC(=O)O)C1=CC=CC(F)=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCCC(CCCC1(C)OCCO1)C(=O)N1CCOC1=O.C=O.COC(=O)C(CC=[O+][O-])C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.O=[O+][O-]
C=O.COC(=O)C(CC=O)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.COC(=O)C(CC=O)C(CC(=O)O)C1=CC=CC(F)=C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CCC2OC[O:3][O:1]2)C(=O)N2CCOC2=O)OCCO1.ClCCl|(2, 3);((3, 1), 1)
7
1
reaction_10
USPTO_ozonolysis
train
5
3
true
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CCC2OC[O:3][O:1]2)C(=O)N2CCOC2=O)OCCO1.ClCCl|(2, 3);((3, 1), 1)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CCC2OCOO2)C(=O)N2CCOC2=O)OCCO1.ClCCl
CC1(CCCC(CCC([O-])OCO[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)N2CCOC2=O)OCCO1.ClCCl
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CCC2OC[O:3][O:1]2)C(=O)N2CCOC2=O)OCCO1|(2, 3);((3, 1), 1)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1(CCCC(CCC2OCOO2)C(=O)N2CCOC2=O)OCCO1
CC1(CCCC(CCC([O-])OCO[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)N2CCOC2=O)OCCO1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCCC(CCCC1(C)OCCO1)C(=O)N1CCOC1=O.CC1(CCCC(CCC2OCOO2)C(=O)N2CCOC2=O)OCCO1.ClCCl.O=[O+][O-]
C=O.CC1(CCCC(CCC=O)C(=O)N2CCOC2=O)OCCO1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.CC1(CCCC(CCC=O)C(=O)N2CCOC2=O)OCCO1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(CC1OC[O:1][O:3]1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl|(2, 1);((1, 3), 3)
38
1
reaction_10
USPTO_ozonolysis
train
5
3
true
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(CC1OC[O:1][O:3]1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl|(2, 1);((1, 3), 3)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(CC1OCOO1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl
COC(=O)C(CC([O-])OCO[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(CC1OC[O:1][O:3]1)C(CC(=O)O)C1=CC=CC(F)=C1|(2, 1);((1, 3), 3)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(CC1OCOO1)C(CC(=O)O)C1=CC=CC(F)=C1
COC(=O)C(CC([O-])OCO[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(CC(=O)O)C1=CC=CC(F)=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCCC(CCCC1(C)OCCO1)C(=O)N1CCOC1=O.COC(=O)C(CC1OCOO1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.O=[O+][O-]
C=O.COC(=O)C(CC=O)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.COC(=O)C(CC=O)C(CC(=O)O)C1=CC=CC(F)=C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CC1(CCCC(CC[CH:1]([O-:2])[O:3][CH2:4][O:5][P+:6](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)N2CCOC2=O)OCCO1.ClCCl|(2, 1);((1, 3), 4);((4, 5), 6)
7
0
reaction_10
USPTO_ozonolysis
train
5
4
true
CC1(CCCC(CC[CH:1]([O-:2])[O:3][CH2:4][O:5][P+:6](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)N2CCOC2=O)OCCO1.ClCCl|(2, 1);((1, 3), 4);((4, 5), 6)
CC1(CCCC(CCC([O-])OCO[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)N2CCOC2=O)OCCO1.ClCCl
C=O.CC1(CCCC(CCC=O)C(=O)N2CCOC2=O)OCCO1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CC1(CCCC(CC[CH:1]([O-:2])[O:3][CH2:4][O:5][P+:6](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)N2CCOC2=O)OCCO1|(2, 1);((1, 3), 4);((4, 5), 6)
CC1(CCCC(CCC([O-])OCO[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)N2CCOC2=O)OCCO1
C=O.CC1(CCCC(CCC=O)C(=O)N2CCOC2=O)OCCO1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCCC(CCCC1(C)OCCO1)C(=O)N1CCOC1=O.CC1(CCCC(CCC([O-])OCO[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)N2CCOC2=O)OCCO1.ClCCl.O=[O+][O-]
C=O.CC1(CCCC(CCC=O)C(=O)N2CCOC2=O)OCCO1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.CC1(CCCC(CCC=O)C(=O)N2CCOC2=O)OCCO1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
COC(=O)C(C[CH:1]([O-:2])[O:3][CH2:4][O:5][P+:6](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl|(2, 1);((1, 3), 4);((4, 5), 6)
38
0
reaction_10
USPTO_ozonolysis
train
5
4
true
COC(=O)C(C[CH:1]([O-:2])[O:3][CH2:4][O:5][P+:6](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl|(2, 1);((1, 3), 4);((4, 5), 6)
COC(=O)C(CC([O-])OCO[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl
C=O.COC(=O)C(CC=O)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
COC(=O)C(C[CH:1]([O-:2])[O:3][CH2:4][O:5][P+:6](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(CC(=O)O)C1=CC=CC(F)=C1|(2, 1);((1, 3), 4);((4, 5), 6)
COC(=O)C(CC([O-])OCO[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(CC(=O)O)C1=CC=CC(F)=C1
C=O.COC(=O)C(CC=O)C(CC(=O)O)C1=CC=CC(F)=C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCCC(CCCC1(C)OCCO1)C(=O)N1CCOC1=O.COC(=O)C(CC([O-])OCO[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.O=[O+][O-]
C=O.COC(=O)C(CC=O)C(CC(=O)O)C1=CC=CC(F)=C1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.COC(=O)C(CC=O)C(CC(=O)O)C1=CC=CC(F)=C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CCOC(=O)C1=CC=CC2=C1N(C[CH:1]=[CH2:2])S(=O)(=O)N(C(C)C)C2.CSC.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
18
4
reaction_12
USPTO_ozonolysis
train
5
0
true
CCOC(=O)C1=CC=CC2=C1N(C[CH:1]=[CH2:2])S(=O)(=O)N(C(C)C)C2.CSC.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CCN1C2=C(C=CC=C2C(=O)OCC)CN(C(C)C)S1(=O)=O.CSC.ClCCl.O=[O+][O-]
CCOC(=O)C1=CC=CC2=C1N(CC1COOO1)S(=O)(=O)N(C(C)C)C2.CSC.ClCCl
CCOC(=O)C1=CC=CC2=C1N(C[CH:1]=[CH2:2])S(=O)(=O)N(C(C)C)C2.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CCN1C2=C(C=CC=C2C(=O)OCC)CN(C(C)C)S1(=O)=O.O=[O+][O-]
CCOC(=O)C1=CC=CC2=C1N(CC1COOO1)S(=O)(=O)N(C(C)C)C2
C=CCN1C2=C(C=CC=C2C(=O)OCC)CN(C(C)C)S1(=O)=O.CSC.ClCCl.O=[O+][O-]
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=O)S(=O)(=O)N(C(C)C)C2.CS(C)=O.ClCCl
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=O)S(=O)(=O)N(C(C)C)C2.CS(C)=O
CCOC(=O)C1=CC=CC2=C1N(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)S(=O)(=O)N(C(C)C)C2.CSC.ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
18
3
reaction_12
USPTO_ozonolysis
train
5
1
true
CCOC(=O)C1=CC=CC2=C1N(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)S(=O)(=O)N(C(C)C)C2.CSC.ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
CCOC(=O)C1=CC=CC2=C1N(CC1COOO1)S(=O)(=O)N(C(C)C)C2.CSC.ClCCl
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=[O+][O-])S(=O)(=O)N(C(C)C)C2.CSC.ClCCl
CCOC(=O)C1=CC=CC2=C1N(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)S(=O)(=O)N(C(C)C)C2|(5, 1);((1, 2), 3);((3, 4), 4)
CCOC(=O)C1=CC=CC2=C1N(CC1COOO1)S(=O)(=O)N(C(C)C)C2
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=[O+][O-])S(=O)(=O)N(C(C)C)C2
C=CCN1C2=C(C=CC=C2C(=O)OCC)CN(C(C)C)S1(=O)=O.CCOC(=O)C1=CC=CC2=C1N(CC1COOO1)S(=O)(=O)N(C(C)C)C2.CSC.ClCCl.O=[O+][O-]
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=O)S(=O)(=O)N(C(C)C)C2.CS(C)=O.ClCCl
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=O)S(=O)(=O)N(C(C)C)C2.CS(C)=O
CCOC(=O)C1=CC=CC2=C1N(C[CH:3]=[O+:4][O-:5])S(=O)(=O)N(C(C)C)C2.CSC.ClCCl.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
18
2
reaction_12
USPTO_ozonolysis
train
5
2
true
CCOC(=O)C1=CC=CC2=C1N(C[CH:3]=[O+:4][O-:5])S(=O)(=O)N(C(C)C)C2.CSC.ClCCl.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=[O+][O-])S(=O)(=O)N(C(C)C)C2.CSC.ClCCl
CCOC(=O)C1=CC=CC2=C1N(CC1OCOO1)S(=O)(=O)N(C(C)C)C2.CSC.ClCCl
CCOC(=O)C1=CC=CC2=C1N(C[CH:3]=[O+:4][O-:5])S(=O)(=O)N(C(C)C)C2.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=[O+][O-])S(=O)(=O)N(C(C)C)C2
CCOC(=O)C1=CC=CC2=C1N(CC1OCOO1)S(=O)(=O)N(C(C)C)C2
C=CCN1C2=C(C=CC=C2C(=O)OCC)CN(C(C)C)S1(=O)=O.C=O.CCOC(=O)C1=CC=CC2=C1N(CC=[O+][O-])S(=O)(=O)N(C(C)C)C2.CSC.ClCCl.O=[O+][O-]
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=O)S(=O)(=O)N(C(C)C)C2.CS(C)=O.ClCCl
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=O)S(=O)(=O)N(C(C)C)C2.CS(C)=O
CCOC(=O)C1=CC=CC2=C1N(CC1OC[O:1][O:2]1)S(=O)(=O)N(C(C)C)C2.C[S:3]C.ClCCl|(3, 2);((2, 1), 1)
18
1
reaction_12
USPTO_ozonolysis
train
5
3
true
CCOC(=O)C1=CC=CC2=C1N(CC1OC[O:1][O:2]1)S(=O)(=O)N(C(C)C)C2.C[S:3]C.ClCCl|(3, 2);((2, 1), 1)
CCOC(=O)C1=CC=CC2=C1N(CC1OCOO1)S(=O)(=O)N(C(C)C)C2.CSC.ClCCl
CCOC(=O)C1=CC=CC2=C1N(CC(OC[O-])O[S+](C)C)S(=O)(=O)N(C(C)C)C2.ClCCl
CCOC(=O)C1=CC=CC2=C1N(CC1OC[O:1][O:2]1)S(=O)(=O)N(C(C)C)C2.C[S:3]C|(3, 2);((2, 1), 1)
CCOC(=O)C1=CC=CC2=C1N(CC1OCOO1)S(=O)(=O)N(C(C)C)C2.CSC
CCOC(=O)C1=CC=CC2=C1N(CC(OC[O-])O[S+](C)C)S(=O)(=O)N(C(C)C)C2
C=CCN1C2=C(C=CC=C2C(=O)OCC)CN(C(C)C)S1(=O)=O.CCOC(=O)C1=CC=CC2=C1N(CC1OCOO1)S(=O)(=O)N(C(C)C)C2.CSC.ClCCl.O=[O+][O-]
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=O)S(=O)(=O)N(C(C)C)C2.CS(C)=O.ClCCl
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=O)S(=O)(=O)N(C(C)C)C2.CS(C)=O
CCOC(=O)C1=CC=CC2=C1N(C[CH:1]([O:2][CH2:3][O-:4])[O:5][S+:6](C)C)S(=O)(=O)N(C(C)C)C2.ClCCl|(4, 3);((3, 2), 1);((1, 5), 6)
18
0
reaction_12
USPTO_ozonolysis
train
5
4
true
CCOC(=O)C1=CC=CC2=C1N(C[CH:1]([O:2][CH2:3][O-:4])[O:5][S+:6](C)C)S(=O)(=O)N(C(C)C)C2.ClCCl|(4, 3);((3, 2), 1);((1, 5), 6)
CCOC(=O)C1=CC=CC2=C1N(CC(OC[O-])O[S+](C)C)S(=O)(=O)N(C(C)C)C2.ClCCl
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=O)S(=O)(=O)N(C(C)C)C2.CS(C)=O.ClCCl
CCOC(=O)C1=CC=CC2=C1N(C[CH:1]([O:2][CH2:3][O-:4])[O:5][S+:6](C)C)S(=O)(=O)N(C(C)C)C2|(4, 3);((3, 2), 1);((1, 5), 6)
CCOC(=O)C1=CC=CC2=C1N(CC(OC[O-])O[S+](C)C)S(=O)(=O)N(C(C)C)C2
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=O)S(=O)(=O)N(C(C)C)C2.CS(C)=O
C=CCN1C2=C(C=CC=C2C(=O)OCC)CN(C(C)C)S1(=O)=O.CCOC(=O)C1=CC=CC2=C1N(CC(OC[O-])O[S+](C)C)S(=O)(=O)N(C(C)C)C2.CSC.ClCCl.O=[O+][O-]
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=O)S(=O)(=O)N(C(C)C)C2.CS(C)=O.ClCCl
C=O.CCOC(=O)C1=CC=CC2=C1N(CC=O)S(=O)(=O)N(C(C)C)C2.CS(C)=O
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C[CH:1]=[CH2:2])C(=O)OC.CSC.ClCCl.O.O.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
31
4
reaction_14
USPTO_ozonolysis
train
5
0
true
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C[CH:1]=[CH2:2])C(=O)OC.CSC.ClCCl.O.O.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CCC(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C(=O)OC)C(=O)OC.CSC.ClCCl.O.O.O=[O+][O-]
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC1COOO1)C(=O)OC.CSC.ClCCl.O.O
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C[CH:1]=[CH2:2])C(=O)OC.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CCC(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C(=O)OC)C(=O)OC.O=[O+][O-]
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC1COOO1)C(=O)OC
C=CCC(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C(=O)OC)C(=O)OC.CSC.ClCCl.O.O=[O+][O-]
C=O.COC(=O)C(CC=O)(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CS(C)=O.ClCCl.O.O
C=O.COC(=O)C(CC=O)(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CS(C)=O
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)C(=O)OC.CSC.ClCCl.O.O|(5, 1);((1, 2), 3);((3, 4), 4)
31
3
reaction_14
USPTO_ozonolysis
train
5
1
true
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)C(=O)OC.CSC.ClCCl.O.O|(5, 1);((1, 2), 3);((3, 4), 4)
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC1COOO1)C(=O)OC.CSC.ClCCl.O.O
C=O.COC(=O)C(CC=[O+][O-])(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CSC.ClCCl.O.O
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)C(=O)OC|(5, 1);((1, 2), 3);((3, 4), 4)
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC1COOO1)C(=O)OC
C=O.COC(=O)C(CC=[O+][O-])(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC
C=CCC(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C(=O)OC)C(=O)OC.COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC1COOO1)C(=O)OC.CSC.ClCCl.O.O=[O+][O-]
C=O.COC(=O)C(CC=O)(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CS(C)=O.ClCCl.O.O
C=O.COC(=O)C(CC=O)(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CS(C)=O
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C[CH:3]=[O+:4][O-:5])C(=O)OC.CSC.ClCCl.O.O.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
31
2
reaction_14
USPTO_ozonolysis
train
5
2
true
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C[CH:3]=[O+:4][O-:5])C(=O)OC.CSC.ClCCl.O.O.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.COC(=O)C(CC=[O+][O-])(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CSC.ClCCl.O.O
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC1OCOO1)C(=O)OC.CSC.ClCCl.O.O
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C[CH:3]=[O+:4][O-:5])C(=O)OC.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.COC(=O)C(CC=[O+][O-])(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC1OCOO1)C(=O)OC
C=CCC(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C(=O)OC)C(=O)OC.C=O.COC(=O)C(CC=[O+][O-])(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CSC.ClCCl.O.O=[O+][O-]
C=O.COC(=O)C(CC=O)(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CS(C)=O.ClCCl.O.O
C=O.COC(=O)C(CC=O)(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CS(C)=O
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC1OC[O:3][O:1]1)C(=O)OC.C[S:2]C.ClCCl.O.O|(2, 3);((3, 1), 1)
31
1
reaction_14
USPTO_ozonolysis
train
5
3
true
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC1OC[O:3][O:1]1)C(=O)OC.C[S:2]C.ClCCl.O.O|(2, 3);((3, 1), 1)
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC1OCOO1)C(=O)OC.CSC.ClCCl.O.O
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC([O-])OCO[S+](C)C)C(=O)OC.ClCCl.O.O
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC1OC[O:3][O:1]1)C(=O)OC.C[S:2]C|(2, 3);((3, 1), 1)
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC1OCOO1)C(=O)OC.CSC
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC([O-])OCO[S+](C)C)C(=O)OC
C=CCC(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C(=O)OC)C(=O)OC.COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC1OCOO1)C(=O)OC.CSC.ClCCl.O.O=[O+][O-]
C=O.COC(=O)C(CC=O)(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CS(C)=O.ClCCl.O.O
C=O.COC(=O)C(CC=O)(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CS(C)=O
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C[CH:1]([O-:2])[O:3][CH2:4][O:5][S+:6](C)C)C(=O)OC.ClCCl.O.O|(2, 1);((1, 3), 4);((4, 5), 6)
31
0
reaction_14
USPTO_ozonolysis
train
5
4
true
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C[CH:1]([O-:2])[O:3][CH2:4][O:5][S+:6](C)C)C(=O)OC.ClCCl.O.O|(2, 1);((1, 3), 4);((4, 5), 6)
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC([O-])OCO[S+](C)C)C(=O)OC.ClCCl.O.O
C=O.COC(=O)C(CC=O)(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CS(C)=O.ClCCl.O.O
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C[CH:1]([O-:2])[O:3][CH2:4][O:5][S+:6](C)C)C(=O)OC|(2, 1);((1, 3), 4);((4, 5), 6)
COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC([O-])OCO[S+](C)C)C(=O)OC
C=O.COC(=O)C(CC=O)(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CS(C)=O
C=CCC(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(C(=O)OC)C(=O)OC.COC(=O)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)(CC([O-])OCO[S+](C)C)C(=O)OC.CSC.ClCCl.O.O=[O+][O-]
C=O.COC(=O)C(CC=O)(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CS(C)=O.ClCCl.O.O
C=O.COC(=O)C(CC=O)(CC(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC.CS(C)=O
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)[CH:2]=[CH:1]C.ClCCl.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
15
4
reaction_15
USPTO_ozonolysis
train
5
0
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)[CH:2]=[CH:1]C.ClCCl.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC=CC(OC)C(C)C(OC)C(C)COC(=O)C(C)(C)C.ClCCl.O=[O+][O-]
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C1OOOC1C.ClCCl
COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)[CH:2]=[CH:1]C.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
CC=CC(OC)C(C)C(OC)C(C)COC(=O)C(C)(C)C.O=[O+][O-]
COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C1OOOC1C
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC=CC(OC)C(C)C(OC)C(C)COC(=O)C(C)(C)C.ClCCl.O=[O+][O-]
CC=O.COC(C=O)C(C)C(OC)C(C)COC(=O)C(C)(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CC=O.COC(C=O)C(C)C(OC)C(C)COC(=O)C(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)[CH:1]1[O:2][O:3][O:4][CH:5]1C.ClCCl|(2, 1);((1, 5), 4);((4, 3), 3)
15
3
reaction_15
USPTO_ozonolysis
train
5
1
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)[CH:1]1[O:2][O:3][O:4][CH:5]1C.ClCCl|(2, 1);((1, 5), 4);((4, 3), 3)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C1OOOC1C.ClCCl
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC=O.COC(C=[O+][O-])C(C)C(OC)C(C)COC(=O)C(C)(C)C.ClCCl
COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)[CH:1]1[O:2][O:3][O:4][CH:5]1C|(2, 1);((1, 5), 4);((4, 3), 3)
COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C1OOOC1C
CC=O.COC(C=[O+][O-])C(C)C(OC)C(C)COC(=O)C(C)(C)C
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC=CC(OC)C(C)C(OC)C(C)COC(=O)C(C)(C)C.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C1OOOC1C.ClCCl.O=[O+][O-]
CC=O.COC(C=O)C(C)C(OC)C(C)COC(=O)C(C)(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CC=O.COC(C=O)C(C)C(OC)C(C)COC(=O)C(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)[CH:3]=[O+:4][O-:5].C[CH:1]=[O:2].ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
15
2
reaction_15
USPTO_ozonolysis
train
5
2
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)[CH:3]=[O+:4][O-:5].C[CH:1]=[O:2].ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC=O.COC(C=[O+][O-])C(C)C(OC)C(C)COC(=O)C(C)(C)C.ClCCl
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C1OOC(C)O1.ClCCl
COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)[CH:3]=[O+:4][O-:5].C[CH:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
CC=O.COC(C=[O+][O-])C(C)C(OC)C(C)COC(=O)C(C)(C)C
COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C1OOC(C)O1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC=CC(OC)C(C)C(OC)C(C)COC(=O)C(C)(C)C.CC=O.COC(C=[O+][O-])C(C)C(OC)C(C)COC(=O)C(C)(C)C.ClCCl.O=[O+][O-]
CC=O.COC(C=O)C(C)C(OC)C(C)COC(=O)C(C)(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CC=O.COC(C=O)C(C)C(OC)C(C)COC(=O)C(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C1OC(C)[O:1][O:3]1.ClCCl|(2, 1);((1, 3), 3)
15
1
reaction_15
USPTO_ozonolysis
train
5
3
true
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C1OC(C)[O:1][O:3]1.ClCCl|(2, 1);((1, 3), 3)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C1OOC(C)O1.ClCCl
COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C([O-])OC(C)O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.ClCCl
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C1OC(C)[O:1][O:3]1|(2, 1);((1, 3), 3)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C1OOC(C)O1
COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C([O-])OC(C)O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC=CC(OC)C(C)C(OC)C(C)COC(=O)C(C)(C)C.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C1OOC(C)O1.ClCCl.O=[O+][O-]
CC=O.COC(C=O)C(C)C(OC)C(C)COC(=O)C(C)(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CC=O.COC(C=O)C(C)C(OC)C(C)COC(=O)C(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)[CH:1]([O-:2])[O:3][CH:4](C)[O:5][P+:6](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.ClCCl|(2, 1);((1, 3), 4);((4, 5), 6)
15
0
reaction_15
USPTO_ozonolysis
train
5
4
true
COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)[CH:1]([O-:2])[O:3][CH:4](C)[O:5][P+:6](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.ClCCl|(2, 1);((1, 3), 4);((4, 5), 6)
COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C([O-])OC(C)O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.ClCCl
CC=O.COC(C=O)C(C)C(OC)C(C)COC(=O)C(C)(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)[CH:1]([O-:2])[O:3][CH:4](C)[O:5][P+:6](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1|(2, 1);((1, 3), 4);((4, 5), 6)
COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C([O-])OC(C)O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CC=O.COC(C=O)C(C)C(OC)C(C)COC(=O)C(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC=CC(OC)C(C)C(OC)C(C)COC(=O)C(C)(C)C.COC(C(C)COC(=O)C(C)(C)C)C(C)C(OC)C([O-])OC(C)O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.ClCCl.O=[O+][O-]
CC=O.COC(C=O)C(C)C(OC)C(C)COC(=O)C(C)(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CC=O.COC(C=O)C(C)C(OC)C(C)COC(=O)C(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CCN(CC)CC.CCOC(=O)C1(C[CH:1]=[C:2](C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
4
4
reaction_17
USPTO_ozonolysis
train
5
0
true
CCN(CC)CC.CCOC(=O)C1(C[CH:1]=[C:2](C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
CCN(CC)CC.CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl.O=[O+][O-]
CCN(CC)CC.CCOC(=O)C1(CC2OOOC2(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl
CCOC(=O)C1(C[CH:1]=[C:2](C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.O=[O+][O-]
CCOC(=O)C1(CC2OOOC2(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1
CCN(CC)CC.CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl.O=[O+][O-]
CC(C)=O.CCN(CC)CC.CCOC(=O)C1(CC=O)CCCN(C(=O)OCC2=CC=CC=C2)C1.CS(C)=O.ClCCl
CC(C)=O.CCOC(=O)C1(CC=O)CCCN(C(=O)OCC2=CC=CC=C2)C1.CS(C)=O
CC(C)(C)OC(=O)N(C[CH:1]=[CH2:2])C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CSC.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
34
4
reaction_17
USPTO_ozonolysis
train
5
0
true
CC(C)(C)OC(=O)N(C[CH:1]=[CH2:2])C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CSC.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CSC.ClCCl.O=[O+][O-]
CC(C)(C)OC(=O)N(CC1COOO1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CSC.ClCCl
CC(C)(C)OC(=O)N(C[CH:1]=[CH2:2])C1CCN(C(=O)OCC2=CC=CC=C2)CC1.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.O=[O+][O-]
CC(C)(C)OC(=O)N(CC1COOO1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1
C=CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CCN(CC)CC.CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CO.CSC.ClCCl.O=[O+][O-]
C=O.CC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CS(C)=O.ClCCl
C=O.CC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CS(C)=O
CCN(CC)CC.CCOC(=O)C1(C[CH:1]2[O:2][O:3][O:4][C:5]2(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl|(2, 1);((1, 5), 4);((4, 3), 3)
4
3
reaction_17
USPTO_ozonolysis
train
5
1
true
CCN(CC)CC.CCOC(=O)C1(C[CH:1]2[O:2][O:3][O:4][C:5]2(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl|(2, 1);((1, 5), 4);((4, 3), 3)
CCN(CC)CC.CCOC(=O)C1(CC2OOOC2(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl
CC(C)=O.CCN(CC)CC.CCOC(=O)C1(CC=[O+][O-])CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl
CCOC(=O)C1(C[CH:1]2[O:2][O:3][O:4][C:5]2(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1|(2, 1);((1, 5), 4);((4, 3), 3)
CCOC(=O)C1(CC2OOOC2(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1
CC(C)=O.CCOC(=O)C1(CC=[O+][O-])CCCN(C(=O)OCC2=CC=CC=C2)C1
CCN(CC)CC.CCOC(=O)C1(CC2OOOC2(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl.O=[O+][O-]
CC(C)=O.CCN(CC)CC.CCOC(=O)C1(CC=O)CCCN(C(=O)OCC2=CC=CC=C2)C1.CS(C)=O.ClCCl
CC(C)=O.CCOC(=O)C1(CC=O)CCCN(C(=O)OCC2=CC=CC=C2)C1.CS(C)=O
CC(C)(C)OC(=O)N(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CSC.ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
34
3
reaction_17
USPTO_ozonolysis
train
5
1
true
CC(C)(C)OC(=O)N(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CSC.ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
CC(C)(C)OC(=O)N(CC1COOO1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CSC.ClCCl
C=O.CC(C)(C)OC(=O)N(CC=[O+][O-])C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CSC.ClCCl
CC(C)(C)OC(=O)N(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1|(5, 1);((1, 2), 3);((3, 4), 4)
CC(C)(C)OC(=O)N(CC1COOO1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1
C=O.CC(C)(C)OC(=O)N(CC=[O+][O-])C1CCN(C(=O)OCC2=CC=CC=C2)CC1
CC(C)(C)OC(=O)N(CC1COOO1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CCN(CC)CC.CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CO.CSC.ClCCl.O=[O+][O-]
C=O.CC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CS(C)=O.ClCCl
C=O.CC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CS(C)=O
CCN(CC)CC.CCOC(=O)C1(C[CH:3]=[O+:4][O-:5])CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.C[C:1](C)=[O:2].ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
4
2
reaction_17
USPTO_ozonolysis
train
5
2
true
CCN(CC)CC.CCOC(=O)C1(C[CH:3]=[O+:4][O-:5])CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.C[C:1](C)=[O:2].ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
CC(C)=O.CCN(CC)CC.CCOC(=O)C1(CC=[O+][O-])CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl
CCN(CC)CC.CCOC(=O)C1(CC2OOC(C)(C)O2)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl
CCOC(=O)C1(C[CH:3]=[O+:4][O-:5])CCCN(C(=O)OCC2=CC=CC=C2)C1.C[C:1](C)=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
CC(C)=O.CCOC(=O)C1(CC=[O+][O-])CCCN(C(=O)OCC2=CC=CC=C2)C1
CCOC(=O)C1(CC2OOC(C)(C)O2)CCCN(C(=O)OCC2=CC=CC=C2)C1
CC(C)=O.CCN(CC)CC.CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CCOC(=O)C1(CC=[O+][O-])CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl.O=[O+][O-]
CC(C)=O.CCN(CC)CC.CCOC(=O)C1(CC=O)CCCN(C(=O)OCC2=CC=CC=C2)C1.CS(C)=O.ClCCl
CC(C)=O.CCOC(=O)C1(CC=O)CCCN(C(=O)OCC2=CC=CC=C2)C1.CS(C)=O
CC(C)(C)OC(=O)N(C[CH:3]=[O+:4][O-:5])C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CSC.ClCCl.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
34
2
reaction_17
USPTO_ozonolysis
train
5
2
true
CC(C)(C)OC(=O)N(C[CH:3]=[O+:4][O-:5])C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CSC.ClCCl.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.CC(C)(C)OC(=O)N(CC=[O+][O-])C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CSC.ClCCl
CC(C)(C)OC(=O)N(CC1OCOO1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CSC.ClCCl
CC(C)(C)OC(=O)N(C[CH:3]=[O+:4][O-:5])C1CCN(C(=O)OCC2=CC=CC=C2)CC1.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.CC(C)(C)OC(=O)N(CC=[O+][O-])C1CCN(C(=O)OCC2=CC=CC=C2)CC1
CC(C)(C)OC(=O)N(CC1OCOO1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1
C=O.CC(C)(C)OC(=O)N(CC=[O+][O-])C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CCN(CC)CC.CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CO.CSC.ClCCl.O=[O+][O-]
C=O.CC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CS(C)=O.ClCCl
C=O.CC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CS(C)=O
CCN(CC)CC.CCOC(=O)C1(CC2OC(C)(C)[O:2][O:1]2)CCCN(C(=O)OCC2=CC=CC=C2)C1.C[S:3]C.ClCCl|(3, 2);((2, 1), 1)
4
1
reaction_17
USPTO_ozonolysis
train
5
3
true
CCN(CC)CC.CCOC(=O)C1(CC2OC(C)(C)[O:2][O:1]2)CCCN(C(=O)OCC2=CC=CC=C2)C1.C[S:3]C.ClCCl|(3, 2);((2, 1), 1)
CCN(CC)CC.CCOC(=O)C1(CC2OOC(C)(C)O2)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl
CCN(CC)CC.CCOC(=O)C1(CC([O-])OC(C)(C)O[S+](C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.ClCCl
CCOC(=O)C1(CC2OC(C)(C)[O:2][O:1]2)CCCN(C(=O)OCC2=CC=CC=C2)C1.C[S:3]C|(3, 2);((2, 1), 1)
CCOC(=O)C1(CC2OOC(C)(C)O2)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC
CCOC(=O)C1(CC([O-])OC(C)(C)O[S+](C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1
CCN(CC)CC.CCOC(=O)C1(CC2OOC(C)(C)O2)CCCN(C(=O)OCC2=CC=CC=C2)C1.CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl.O=[O+][O-]
CC(C)=O.CCN(CC)CC.CCOC(=O)C1(CC=O)CCCN(C(=O)OCC2=CC=CC=C2)C1.CS(C)=O.ClCCl
CC(C)=O.CCOC(=O)C1(CC=O)CCCN(C(=O)OCC2=CC=CC=C2)C1.CS(C)=O
CC(C)(C)OC(=O)N(CC1OC[O:2][O:3]1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.C[S:1]C.ClCCl|(1, 3);((3, 2), 2)
34
1
reaction_17
USPTO_ozonolysis
train
5
3
true
CC(C)(C)OC(=O)N(CC1OC[O:2][O:3]1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.C[S:1]C.ClCCl|(1, 3);((3, 2), 2)
CC(C)(C)OC(=O)N(CC1OCOO1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CSC.ClCCl
CO.C[S+](C)OC(CN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCC2=CC=CC=C2)CC1)OC[O-].ClCCl
CC(C)(C)OC(=O)N(CC1OC[O:2][O:3]1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.C[S:1]C|(1, 3);((3, 2), 2)
CC(C)(C)OC(=O)N(CC1OCOO1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CSC
C[S+](C)OC(CN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCC2=CC=CC=C2)CC1)OC[O-]
CC(C)(C)OC(=O)N(CC1OCOO1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CCN(CC)CC.CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CO.CSC.ClCCl.O=[O+][O-]
C=O.CC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CS(C)=O.ClCCl
C=O.CC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CS(C)=O
CCN(CC)CC.CCOC(=O)C1(C[CH:1]([O-:2])[O:3][C:4](C)(C)[O:5][S+:6](C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.ClCCl|(2, 1);((1, 3), 4);((4, 5), 6)
4
0
reaction_17
USPTO_ozonolysis
train
5
4
true
CCN(CC)CC.CCOC(=O)C1(C[CH:1]([O-:2])[O:3][C:4](C)(C)[O:5][S+:6](C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.ClCCl|(2, 1);((1, 3), 4);((4, 5), 6)
CCN(CC)CC.CCOC(=O)C1(CC([O-])OC(C)(C)O[S+](C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.ClCCl
CC(C)=O.CCN(CC)CC.CCOC(=O)C1(CC=O)CCCN(C(=O)OCC2=CC=CC=C2)C1.CS(C)=O.ClCCl
CCOC(=O)C1(C[CH:1]([O-:2])[O:3][C:4](C)(C)[O:5][S+:6](C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1|(2, 1);((1, 3), 4);((4, 5), 6)
CCOC(=O)C1(CC([O-])OC(C)(C)O[S+](C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1
CC(C)=O.CCOC(=O)C1(CC=O)CCCN(C(=O)OCC2=CC=CC=C2)C1.CS(C)=O
CCN(CC)CC.CCOC(=O)C1(CC([O-])OC(C)(C)O[S+](C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CSC.ClCCl.O=[O+][O-]
CC(C)=O.CCN(CC)CC.CCOC(=O)C1(CC=O)CCCN(C(=O)OCC2=CC=CC=C2)C1.CS(C)=O.ClCCl
CC(C)=O.CCOC(=O)C1(CC=O)CCCN(C(=O)OCC2=CC=CC=C2)C1.CS(C)=O
CC(C)(C)OC(=O)N(C[CH:6]([O:1][CH2:2][O-:3])[O:5][S+:4](C)C)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.ClCCl|(3, 2);((2, 1), 6);((6, 5), 4)
34
0
reaction_17
USPTO_ozonolysis
train
5
4
true
CC(C)(C)OC(=O)N(C[CH:6]([O:1][CH2:2][O-:3])[O:5][S+:4](C)C)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.ClCCl|(3, 2);((2, 1), 6);((6, 5), 4)
CO.C[S+](C)OC(CN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCC2=CC=CC=C2)CC1)OC[O-].ClCCl
C=O.CC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CS(C)=O.ClCCl
CC(C)(C)OC(=O)N(C[CH:6]([O:1][CH2:2][O-:3])[O:5][S+:4](C)C)C1CCN(C(=O)OCC2=CC=CC=C2)CC1|(3, 2);((2, 1), 6);((6, 5), 4)
C[S+](C)OC(CN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCC2=CC=CC=C2)CC1)OC[O-]
C=O.CC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CS(C)=O
CCN(CC)CC.CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OCC2=CC=CC=C2)C1.CO.CSC.C[S+](C)OC(CN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCC2=CC=CC=C2)CC1)OC[O-].ClCCl.O=[O+][O-]
C=O.CC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CO.CS(C)=O.ClCCl
C=O.CC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1.CS(C)=O
CCC1=C(C[CH:1]=[CH2:2])C=C(CC(=O)OC)C=N1.CO.CSC.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
3
4
reaction_18
USPTO_ozonolysis
train
5
0
true
CCC1=C(C[CH:1]=[CH2:2])C=C(CC(=O)OC)C=N1.CO.CSC.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CCC1=C(CC)N=CC(CC(=O)OC)=C1.CO.CSC.ClCCl.O=[O+][O-]
CCC1=C(CC2COOO2)C=C(CC(=O)OC)C=N1.CO.CSC.ClCCl
CCC1=C(C[CH:1]=[CH2:2])C=C(CC(=O)OC)C=N1.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CCC1=C(CC)N=CC(CC(=O)OC)=C1.O=[O+][O-]
CCC1=C(CC2COOO2)C=C(CC(=O)OC)C=N1
C=CCC1=C(CC)N=CC(CC(=O)OC)=C1.CO.CSC.ClCCl.O=[O+][O-]
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=O.CO.CS(C)=O.ClCCl
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=O.CS(C)=O
CCC1=NC=C(CC(=O)OC)C=C1C[CH:1]1[CH2:2][O:3][O:4][O:5]1.CO.CSC.ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
3
3
reaction_18
USPTO_ozonolysis
train
5
1
true
CCC1=NC=C(CC(=O)OC)C=C1C[CH:1]1[CH2:2][O:3][O:4][O:5]1.CO.CSC.ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
CCC1=NC=C(CC(=O)OC)C=C1CC1COOO1.CO.CSC.ClCCl
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=[O+][O-].CO.CSC.ClCCl
CCC1=NC=C(CC(=O)OC)C=C1C[CH:1]1[CH2:2][O:3][O:4][O:5]1|(5, 1);((1, 2), 3);((3, 4), 4)
CCC1=NC=C(CC(=O)OC)C=C1CC1COOO1
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=[O+][O-]
C=CCC1=C(CC)N=CC(CC(=O)OC)=C1.CCC1=NC=C(CC(=O)OC)C=C1CC1COOO1.CO.CSC.ClCCl.O=[O+][O-]
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=O.CO.CS(C)=O.ClCCl
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=O.CS(C)=O
CCC1=NC=C(CC(=O)OC)C=C1C[CH:3]=[O+:4][O-:5].CO.CSC.ClCCl.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
3
2
reaction_18
USPTO_ozonolysis
train
5
2
true
CCC1=NC=C(CC(=O)OC)C=C1C[CH:3]=[O+:4][O-:5].CO.CSC.ClCCl.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=[O+][O-].CO.CSC.ClCCl
CCC1=NC=C(CC(=O)OC)C=C1CC1OCOO1.CO.CSC.ClCCl
CCC1=NC=C(CC(=O)OC)C=C1C[CH:3]=[O+:4][O-:5].[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=[O+][O-]
CCC1=NC=C(CC(=O)OC)C=C1CC1OCOO1
C=CCC1=C(CC)N=CC(CC(=O)OC)=C1.C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=[O+][O-].CO.CSC.ClCCl.O=[O+][O-]
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=O.CO.CS(C)=O.ClCCl
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=O.CS(C)=O
CCC1=NC=C(CC(=O)OC)C=C1CC1OC[O:1][O:2]1.CO.C[S:3]C.ClCCl|(3, 2);((2, 1), 1)
3
1
reaction_18
USPTO_ozonolysis
train
5
3
true
CCC1=NC=C(CC(=O)OC)C=C1CC1OC[O:1][O:2]1.CO.C[S:3]C.ClCCl|(3, 2);((2, 1), 1)
CCC1=NC=C(CC(=O)OC)C=C1CC1OCOO1.CO.CSC.ClCCl
CCC1=NC=C(CC(=O)OC)C=C1CC(OC[O-])O[S+](C)C.CO.ClCCl
CCC1=NC=C(CC(=O)OC)C=C1CC1OC[O:1][O:2]1.C[S:3]C|(3, 2);((2, 1), 1)
CCC1=NC=C(CC(=O)OC)C=C1CC1OCOO1.CSC
CCC1=NC=C(CC(=O)OC)C=C1CC(OC[O-])O[S+](C)C
C=CCC1=C(CC)N=CC(CC(=O)OC)=C1.CCC1=NC=C(CC(=O)OC)C=C1CC1OCOO1.CO.CSC.ClCCl.O=[O+][O-]
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=O.CO.CS(C)=O.ClCCl
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=O.CS(C)=O
CCC1=NC=C(CC(=O)OC)C=C1C[CH:1]([O:2][CH2:3][O-:4])[O:5][S+:6](C)C.CO.ClCCl|(4, 3);((3, 2), 1);((1, 5), 6)
3
0
reaction_18
USPTO_ozonolysis
train
5
4
true
CCC1=NC=C(CC(=O)OC)C=C1C[CH:1]([O:2][CH2:3][O-:4])[O:5][S+:6](C)C.CO.ClCCl|(4, 3);((3, 2), 1);((1, 5), 6)
CCC1=NC=C(CC(=O)OC)C=C1CC(OC[O-])O[S+](C)C.CO.ClCCl
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=O.CO.CS(C)=O.ClCCl
CCC1=NC=C(CC(=O)OC)C=C1C[CH:1]([O:2][CH2:3][O-:4])[O:5][S+:6](C)C|(4, 3);((3, 2), 1);((1, 5), 6)
CCC1=NC=C(CC(=O)OC)C=C1CC(OC[O-])O[S+](C)C
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=O.CS(C)=O
C=CCC1=C(CC)N=CC(CC(=O)OC)=C1.CCC1=NC=C(CC(=O)OC)C=C1CC(OC[O-])O[S+](C)C.CO.CSC.ClCCl.O=[O+][O-]
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=O.CO.CS(C)=O.ClCCl
C=O.CCC1=NC=C(CC(=O)OC)C=C1CC=O.CS(C)=O
CO.CSC.ClCCl.O=C(O)C1=CC=NC([CH:2]=[CH2:1])=C1.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
11
4
reaction_21
USPTO_ozonolysis
train
5
0
true
CO.CSC.ClCCl.O=C(O)C1=CC=NC([CH:2]=[CH2:1])=C1.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
C=CC1=CC(C(=O)O)=CC=N1.CO.CSC.ClCCl.O=[O+][O-]
CO.CSC.ClCCl.O=C(O)C1=CC=NC(C2COOO2)=C1
O=C(O)C1=CC=NC([CH:2]=[CH2:1])=C1.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
C=CC1=CC(C(=O)O)=CC=N1.O=[O+][O-]
O=C(O)C1=CC=NC(C2COOO2)=C1
C=CC1=CC(C(=O)O)=CC=N1.CO.CSC.ClCCl.O=[O+][O-]
C=O.CO.CS(C)=O.ClCCl.O=CC1=CC(C(=O)O)=CC=N1
C=O.CS(C)=O.O=CC1=CC(C(=O)O)=CC=N1
COC(=O)[CH:1]=[CH:2]C1=C(Cl)C=C(Br)C=C1Cl.CSC.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
23
4
reaction_21
USPTO_ozonolysis
train
5
0
true
COC(=O)[CH:1]=[CH:2]C1=C(Cl)C=C(Br)C=C1Cl.CSC.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
COC(=O)C=CC1=C(Cl)C=C(Br)C=C1Cl.CSC.ClCCl.O=[O+][O-]
COC(=O)C1OOOC1C1=C(Cl)C=C(Br)C=C1Cl.CSC.ClCCl
COC(=O)[CH:1]=[CH:2]C1=C(Cl)C=C(Br)C=C1Cl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
COC(=O)C=CC1=C(Cl)C=C(Br)C=C1Cl.O=[O+][O-]
COC(=O)C1OOOC1C1=C(Cl)C=C(Br)C=C1Cl
C=CC1=CC(C(=O)O)=CC=N1.CO.COC(=O)C=CC1=C(Cl)C=C(Br)C=C1Cl.CSC.ClCCl.O=[O+][O-]
COC(=O)C=O.CS(C)=O.ClCCl.O=CC1=C(Cl)C=C(Br)C=C1Cl
COC(=O)C=O.CS(C)=O.O=CC1=C(Cl)C=C(Br)C=C1Cl
CO.CSC.ClCCl.O=C(O)C1=CC=NC([CH:1]2[CH2:2][O:3][O:4][O:5]2)=C1|(5, 1);((1, 2), 3);((3, 4), 4)
11
3
reaction_21
USPTO_ozonolysis
train
5
1
true
CO.CSC.ClCCl.O=C(O)C1=CC=NC([CH:1]2[CH2:2][O:3][O:4][O:5]2)=C1|(5, 1);((1, 2), 3);((3, 4), 4)
CO.CSC.ClCCl.O=C(O)C1=CC=NC(C2COOO2)=C1
C=O.CO.CSC.ClCCl.O=C(O)C1=CC=NC(C=[O+][O-])=C1
O=C(O)C1=CC=NC([CH:1]2[CH2:2][O:3][O:4][O:5]2)=C1|(5, 1);((1, 2), 3);((3, 4), 4)
O=C(O)C1=CC=NC(C2COOO2)=C1
C=O.O=C(O)C1=CC=NC(C=[O+][O-])=C1
C=CC1=CC(C(=O)O)=CC=N1.CO.CSC.ClCCl.O=C(O)C1=CC=NC(C2COOO2)=C1.O=[O+][O-]
C=O.CO.CS(C)=O.ClCCl.O=CC1=CC(C(=O)O)=CC=N1
C=O.CS(C)=O.O=CC1=CC(C(=O)O)=CC=N1
COC(=O)[CH:1]1[O:2][O:3][O:4][CH:5]1C1=C(Cl)C=C(Br)C=C1Cl.CSC.ClCCl|(4, 5);((5, 1), 2);((2, 3), 3)
23
3
reaction_21
USPTO_ozonolysis
train
5
1
true
COC(=O)[CH:1]1[O:2][O:3][O:4][CH:5]1C1=C(Cl)C=C(Br)C=C1Cl.CSC.ClCCl|(4, 5);((5, 1), 2);((2, 3), 3)
COC(=O)C1OOOC1C1=C(Cl)C=C(Br)C=C1Cl.CSC.ClCCl
COC(=O)C=O.CSC.ClCCl.[O-][O+]=CC1=C(Cl)C=C(Br)C=C1Cl
COC(=O)[CH:1]1[O:2][O:3][O:4][CH:5]1C1=C(Cl)C=C(Br)C=C1Cl|(4, 5);((5, 1), 2);((2, 3), 3)
COC(=O)C1OOOC1C1=C(Cl)C=C(Br)C=C1Cl
COC(=O)C=O.[O-][O+]=CC1=C(Cl)C=C(Br)C=C1Cl
C=CC1=CC(C(=O)O)=CC=N1.CO.COC(=O)C1OOOC1C1=C(Cl)C=C(Br)C=C1Cl.CSC.ClCCl.O=[O+][O-]
COC(=O)C=O.CS(C)=O.ClCCl.O=CC1=C(Cl)C=C(Br)C=C1Cl
COC(=O)C=O.CS(C)=O.O=CC1=C(Cl)C=C(Br)C=C1Cl
CO.CSC.ClCCl.O=C(O)C1=CC=NC([CH:3]=[O+:4][O-:5])=C1.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
11
2
reaction_21
USPTO_ozonolysis
train
5
2
true
CO.CSC.ClCCl.O=C(O)C1=CC=NC([CH:3]=[O+:4][O-:5])=C1.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.CO.CSC.ClCCl.O=C(O)C1=CC=NC(C=[O+][O-])=C1
CO.CSC.ClCCl.O=C(O)C1=CC=NC(C2OCOO2)=C1
O=C(O)C1=CC=NC([CH:3]=[O+:4][O-:5])=C1.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.O=C(O)C1=CC=NC(C=[O+][O-])=C1
O=C(O)C1=CC=NC(C2OCOO2)=C1
C=CC1=CC(C(=O)O)=CC=N1.C=O.CO.CSC.ClCCl.O=C(O)C1=CC=NC(C=[O+][O-])=C1.O=[O+][O-]
C=O.CO.CS(C)=O.ClCCl.O=CC1=CC(C(=O)O)=CC=N1
C=O.CS(C)=O.O=CC1=CC(C(=O)O)=CC=N1
COC(=O)[CH:1]=[O:2].CSC.ClC1=CC(Br)=CC(Cl)=C1[CH:5]=[O+:4][O-:3].ClCCl|(3, 1);((1, 2), 5);((5, 4), 4)
23
2
reaction_21
USPTO_ozonolysis
train
5
2
true
COC(=O)[CH:1]=[O:2].CSC.ClC1=CC(Br)=CC(Cl)=C1[CH:5]=[O+:4][O-:3].ClCCl|(3, 1);((1, 2), 5);((5, 4), 4)
COC(=O)C=O.CSC.ClCCl.[O-][O+]=CC1=C(Cl)C=C(Br)C=C1Cl
COC(=O)C1OOC(C2=C(Cl)C=C(Br)C=C2Cl)O1.CSC.ClCCl
COC(=O)[CH:1]=[O:2].ClC1=CC(Br)=CC(Cl)=C1[CH:5]=[O+:4][O-:3]|(3, 1);((1, 2), 5);((5, 4), 4)
COC(=O)C=O.[O-][O+]=CC1=C(Cl)C=C(Br)C=C1Cl
COC(=O)C1OOC(C2=C(Cl)C=C(Br)C=C2Cl)O1
C=CC1=CC(C(=O)O)=CC=N1.CO.COC(=O)C=O.CSC.ClCCl.O=[O+][O-].[O-][O+]=CC1=C(Cl)C=C(Br)C=C1Cl
COC(=O)C=O.CS(C)=O.ClCCl.O=CC1=C(Cl)C=C(Br)C=C1Cl
COC(=O)C=O.CS(C)=O.O=CC1=C(Cl)C=C(Br)C=C1Cl
CO.C[S:2]C.ClCCl.O=C(O)C1=CC=NC(C2OC[O:1][O:3]2)=C1|(2, 3);((3, 1), 1)
11
1
reaction_21
USPTO_ozonolysis
train
5
3
true
CO.C[S:2]C.ClCCl.O=C(O)C1=CC=NC(C2OC[O:1][O:3]2)=C1|(2, 3);((3, 1), 1)
CO.CSC.ClCCl.O=C(O)C1=CC=NC(C2OCOO2)=C1
CO.C[S+](C)OC(OC[O-])C1=CC(C(=O)O)=CC=N1.ClCCl
C[S:2]C.O=C(O)C1=CC=NC(C2OC[O:1][O:3]2)=C1|(2, 3);((3, 1), 1)
CSC.O=C(O)C1=CC=NC(C2OCOO2)=C1
C[S+](C)OC(OC[O-])C1=CC(C(=O)O)=CC=N1
C=CC1=CC(C(=O)O)=CC=N1.CO.CSC.ClCCl.O=C(O)C1=CC=NC(C2OCOO2)=C1.O=[O+][O-]
C=O.CO.CS(C)=O.ClCCl.O=CC1=CC(C(=O)O)=CC=N1
C=O.CS(C)=O.O=CC1=CC(C(=O)O)=CC=N1
COC(=O)C1OC(C2=C(Cl)C=C(Br)C=C2Cl)[O:3][O:2]1.C[S:1]C.ClCCl|(1, 3);((3, 2), 2)
23
1
reaction_21
USPTO_ozonolysis
train
5
3
true
COC(=O)C1OC(C2=C(Cl)C=C(Br)C=C2Cl)[O:3][O:2]1.C[S:1]C.ClCCl|(1, 3);((3, 2), 2)
COC(=O)C1OOC(C2=C(Cl)C=C(Br)C=C2Cl)O1.CSC.ClCCl
COC(=O)C([O-])OC(O[S+](C)C)C1=C(Cl)C=C(Br)C=C1Cl.ClCCl
COC(=O)C1OC(C2=C(Cl)C=C(Br)C=C2Cl)[O:3][O:2]1.C[S:1]C|(1, 3);((3, 2), 2)
COC(=O)C1OOC(C2=C(Cl)C=C(Br)C=C2Cl)O1.CSC
COC(=O)C([O-])OC(O[S+](C)C)C1=C(Cl)C=C(Br)C=C1Cl
C=CC1=CC(C(=O)O)=CC=N1.CO.COC(=O)C1OOC(C2=C(Cl)C=C(Br)C=C2Cl)O1.CSC.ClCCl.O=[O+][O-]
COC(=O)C=O.CS(C)=O.ClCCl.O=CC1=C(Cl)C=C(Br)C=C1Cl
COC(=O)C=O.CS(C)=O.O=CC1=C(Cl)C=C(Br)C=C1Cl
CO.C[S+:1](C)[O:2][CH:3](C1=CC(C(=O)O)=CC=N1)[O:4][CH2:5][O-:6].ClCCl|(6, 5);((5, 4), 3);((3, 2), 1)
11
0
reaction_21
USPTO_ozonolysis
train
5
4
true
CO.C[S+:1](C)[O:2][CH:3](C1=CC(C(=O)O)=CC=N1)[O:4][CH2:5][O-:6].ClCCl|(6, 5);((5, 4), 3);((3, 2), 1)
CO.C[S+](C)OC(OC[O-])C1=CC(C(=O)O)=CC=N1.ClCCl
C=O.CO.CS(C)=O.ClCCl.O=CC1=CC(C(=O)O)=CC=N1
C[S+:1](C)[O:2][CH:3](C1=CC(C(=O)O)=CC=N1)[O:4][CH2:5][O-:6]|(6, 5);((5, 4), 3);((3, 2), 1)
C[S+](C)OC(OC[O-])C1=CC(C(=O)O)=CC=N1
C=O.CS(C)=O.O=CC1=CC(C(=O)O)=CC=N1
C=CC1=CC(C(=O)O)=CC=N1.CO.CSC.C[S+](C)OC(OC[O-])C1=CC(C(=O)O)=CC=N1.ClCCl.O=[O+][O-]
C=O.CO.CS(C)=O.ClCCl.O=CC1=CC(C(=O)O)=CC=N1
C=O.CS(C)=O.O=CC1=CC(C(=O)O)=CC=N1
COC(=O)[CH:1]([O-:2])[O:3][CH:4](C1=C(Cl)C=C(Br)C=C1Cl)[O:5][S+:6](C)C.ClCCl|(2, 1);((1, 3), 4);((4, 5), 6)
23
0
reaction_21
USPTO_ozonolysis
train
5
4
true
COC(=O)[CH:1]([O-:2])[O:3][CH:4](C1=C(Cl)C=C(Br)C=C1Cl)[O:5][S+:6](C)C.ClCCl|(2, 1);((1, 3), 4);((4, 5), 6)
COC(=O)C([O-])OC(O[S+](C)C)C1=C(Cl)C=C(Br)C=C1Cl.ClCCl
COC(=O)C=O.CS(C)=O.ClCCl.O=CC1=C(Cl)C=C(Br)C=C1Cl
COC(=O)[CH:1]([O-:2])[O:3][CH:4](C1=C(Cl)C=C(Br)C=C1Cl)[O:5][S+:6](C)C|(2, 1);((1, 3), 4);((4, 5), 6)
COC(=O)C([O-])OC(O[S+](C)C)C1=C(Cl)C=C(Br)C=C1Cl
COC(=O)C=O.CS(C)=O.O=CC1=C(Cl)C=C(Br)C=C1Cl
C=CC1=CC(C(=O)O)=CC=N1.CO.COC(=O)C([O-])OC(O[S+](C)C)C1=C(Cl)C=C(Br)C=C1Cl.CSC.ClCCl.O=[O+][O-]
COC(=O)C=O.CS(C)=O.ClCCl.O=CC1=C(Cl)C=C(Br)C=C1Cl
COC(=O)C=O.CS(C)=O.O=CC1=C(Cl)C=C(Br)C=C1Cl
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CC[C:1](=[CH2:2])C1.ClCCl.[O-:3][O+:4]=[O:5].[O-]OO|(3, 2);((2, 1), 5);((5, 4), 4)
39
4
reaction_22
USPTO_ozonolysis
train
5
0
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CC[C:1](=[CH2:2])C1.ClCCl.[O-:3][O+:4]=[O:5].[O-]OO|(3, 2);((2, 1), 5);((5, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=C1CCC(C(=O)OC)C1.ClCCl.O=[O+][O-].[O-]OO
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CCC2(COOO2)C1.ClCCl.[O-]OO
COC(=O)C1CC[C:1](=[CH2:2])C1.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
C=C1CCC(C(=O)OC)C1.O=[O+][O-]
COC(=O)C1CCC2(COOO2)C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=C1CCC(C(=O)OC)C1.ClCCl.O=[O+][O-].[O-]OO
C=O.COC(=O)C1CCC(=O)C1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[O-]OO
C=O.COC(=O)C1CCC(=O)C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CC[C:1]2(C1)[CH2:2][O:3][O:4][O:5]2.ClCCl.[O-]OO|(5, 1);((1, 2), 3);((3, 4), 4)
39
3
reaction_22
USPTO_ozonolysis
train
5
1
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CC[C:1]2(C1)[CH2:2][O:3][O:4][O:5]2.ClCCl.[O-]OO|(5, 1);((1, 2), 3);((3, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CCC2(COOO2)C1.ClCCl.[O-]OO
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=O.COC(=O)C1CCC(=[O+][O-])C1.ClCCl.[O-]OO
COC(=O)C1CC[C:1]2(C1)[CH2:2][O:3][O:4][O:5]2|(5, 1);((1, 2), 3);((3, 4), 4)
COC(=O)C1CCC2(COOO2)C1
C=O.COC(=O)C1CCC(=[O+][O-])C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=C1CCC(C(=O)OC)C1.COC(=O)C1CCC2(COOO2)C1.ClCCl.O=[O+][O-].[O-]OO
C=O.COC(=O)C1CCC(=O)C1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[O-]OO
C=O.COC(=O)C1CCC(=O)C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CC[C:3](=[O+:4][O-:5])C1.ClCCl.[CH2:1]=[O:2].[O-]OO|(5, 1);((1, 2), 3);((3, 4), 4)
39
2
reaction_22
USPTO_ozonolysis
train
5
2
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CC[C:3](=[O+:4][O-:5])C1.ClCCl.[CH2:1]=[O:2].[O-]OO|(5, 1);((1, 2), 3);((3, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=O.COC(=O)C1CCC(=[O+][O-])C1.ClCCl.[O-]OO
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CCC2(C1)OCOO2.ClCCl.[O-]OO
COC(=O)C1CC[C:3](=[O+:4][O-:5])C1.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.COC(=O)C1CCC(=[O+][O-])C1
COC(=O)C1CCC2(C1)OCOO2
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=C1CCC(C(=O)OC)C1.C=O.COC(=O)C1CCC(=[O+][O-])C1.ClCCl.O=[O+][O-].[O-]OO
C=O.COC(=O)C1CCC(=O)C1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[O-]OO
C=O.COC(=O)C1CCC(=O)C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CCC2(C1)OC[O:3][O:1]2.ClCCl.[O-]OO|(2, 1);((1, 3), 3)
39
1
reaction_22
USPTO_ozonolysis
train
5
3
true
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CCC2(C1)OC[O:3][O:1]2.ClCCl.[O-]OO|(2, 1);((1, 3), 3)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CCC2(C1)OCOO2.ClCCl.[O-]OO
COC(=O)C1CCC(OC[O-])(O[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C1.ClCCl.[O-]OO
C1=CC=C([P:2](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CCC2(C1)OC[O:3][O:1]2|(2, 1);((1, 3), 3)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C1CCC2(C1)OCOO2
COC(=O)C1CCC(OC[O-])(O[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=C1CCC(C(=O)OC)C1.COC(=O)C1CCC2(C1)OCOO2.ClCCl.O=[O+][O-].[O-]OO
C=O.COC(=O)C1CCC(=O)C1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[O-]OO
C=O.COC(=O)C1CCC(=O)C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
COC(=O)C1CC[C:1]([O:2][CH2:3][O-:4])([O:5][P+:6](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C1.ClCCl.[O-]OO|(4, 3);((3, 2), 1);((1, 5), 6)
39
0
reaction_22
USPTO_ozonolysis
train
5
4
true
COC(=O)C1CC[C:1]([O:2][CH2:3][O-:4])([O:5][P+:6](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C1.ClCCl.[O-]OO|(4, 3);((3, 2), 1);((1, 5), 6)
COC(=O)C1CCC(OC[O-])(O[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C1.ClCCl.[O-]OO
C=O.COC(=O)C1CCC(=O)C1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[O-]OO
COC(=O)C1CC[C:1]([O:2][CH2:3][O-:4])([O:5][P+:6](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C1|(4, 3);((3, 2), 1);((1, 5), 6)
COC(=O)C1CCC(OC[O-])(O[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C1
C=O.COC(=O)C1CCC(=O)C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=C1CCC(C(=O)OC)C1.COC(=O)C1CCC(OC[O-])(O[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C1.ClCCl.O=[O+][O-].[O-]OO
C=O.COC(=O)C1CCC(=O)C1.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[O-]OO
C=O.COC(=O)C1CCC(=O)C1.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)[CH:4]=[C:5](C)C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC.[O-:1][O+:2]=[O:3]|(1, 5);((5, 4), 3);((3, 2), 2)
22
4
reaction_24
USPTO_ozonolysis
train
5
0
true
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)[CH:4]=[C:5](C)C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC.[O-:1][O+:2]=[O:3]|(1, 5);((5, 4), 3);((3, 2), 2)
CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC.O=[O+][O-]
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C1OOOC1(C)C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)[CH:4]=[C:5](C)C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1.[O-:1][O+:2]=[O:3]|(1, 5);((5, 4), 3);((3, 2), 2)
CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.O=[O+][O-]
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C1OOOC1(C)C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1
CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC.O=[O+][O-]
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CS(C)=O
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CS(C)=O
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)[CH:1]1[O:2][O:3][O:4][C:5]1(C)C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC|(2, 1);((1, 5), 4);((4, 3), 3)
22
3
reaction_24
USPTO_ozonolysis
train
5
1
true
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)[CH:1]1[O:2][O:3][O:4][C:5]1(C)C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC|(2, 1);((1, 5), 4);((4, 3), 3)
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C1OOOC1(C)C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=[O+][O-])C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)[CH:1]1[O:2][O:3][O:4][C:5]1(C)C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1|(2, 1);((1, 5), 4);((4, 3), 3)
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C1OOOC1(C)C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=[O+][O-])C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C1OOOC1(C)C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC.O=[O+][O-]
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CS(C)=O
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CS(C)=O
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)[CH:3]=[O+:4][O-:5])C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC.C[C:1](C(=O)O)=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
22
2
reaction_24
USPTO_ozonolysis
train
5
2
true
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)[CH:3]=[O+:4][O-:5])C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC.C[C:1](C(=O)O)=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=[O+][O-])C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C1OOC(C)(C(=O)O)O1)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)[CH:3]=[O+:4][O-:5])C(C)(C)C)C(C)(C)C1=CC=CC=C1.C[C:1](C(=O)O)=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=[O+][O-])C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C1OOC(C)(C(=O)O)O1)C(C)(C)C)C(C)(C)C1=CC=CC=C1
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CNC(C(=O)NC(C(=O)N(C)C(C=[O+][O-])C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC.O=[O+][O-]
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CS(C)=O
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CS(C)=O
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C1OC(C)(C(=O)O)[O:2][O:3]1)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.C[S:1]C|(1, 3);((3, 2), 2)
22
1
reaction_24
USPTO_ozonolysis
train
5
3
true
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C1OC(C)(C(=O)O)[O:2][O:3]1)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.C[S:1]C|(1, 3);((3, 2), 2)
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C1OOC(C)(C(=O)O)O1)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C(O[S+](C)C)OC(C)([O-])C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C1OC(C)(C(=O)O)[O:2][O:3]1)C(C)(C)C)C(C)(C)C1=CC=CC=C1.C[S:1]C|(1, 3);((3, 2), 2)
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C1OOC(C)(C(=O)O)O1)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CSC
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C(O[S+](C)C)OC(C)([O-])C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C1OOC(C)(C(=O)O)O1)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC.O=[O+][O-]
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CS(C)=O
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CS(C)=O
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)[CH:1]([O:2][S+:3](C)C)[O:4][C:5](C)(C(=O)O)[O-:6])C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO|(6, 5);((5, 4), 1);((1, 2), 3)
22
0
reaction_24
USPTO_ozonolysis
train
5
4
true
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)[CH:1]([O:2][S+:3](C)C)[O:4][C:5](C)(C(=O)O)[O-:6])C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO|(6, 5);((5, 4), 1);((1, 2), 3)
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C(O[S+](C)C)OC(C)([O-])C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CS(C)=O
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)[CH:1]([O:2][S+:3](C)C)[O:4][C:5](C)(C(=O)O)[O-:6])C(C)(C)C)C(C)(C)C1=CC=CC=C1|(6, 5);((5, 4), 1);((1, 2), 3)
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C(O[S+](C)C)OC(C)([O-])C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CS(C)=O
CNC(C(=O)NC(C(=O)N(C)C(C(C)C)C(O[S+](C)C)OC(C)([O-])C(=O)O)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CSC.O=[O+][O-]
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CO.CS(C)=O
CC(=O)C(=O)O.CNC(C(=O)NC(C(=O)N(C)C(C=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1.CS(C)=O
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(C[CH:1]=[CH2:2])C(C)(C)C.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
12
4
reaction_33
USPTO_ozonolysis
train
5
0
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(C[CH:1]=[CH2:2])C(C)(C)C.ClCCl.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCC(C)(C(=O)OC)C(C)(C)C.ClCCl.O=[O+][O-]
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(CC1COOO1)C(C)(C)C.ClCCl
COC(=O)C(C)(C[CH:1]=[CH2:2])C(C)(C)C.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CCC(C)(C(=O)OC)C(C)(C)C.O=[O+][O-]
COC(=O)C(C)(CC1COOO1)C(C)(C)C
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCC(C)(C(=O)OC)C(C)(C)C.ClCCl.O=[O+][O-]
C=O.COC(=O)C(C)(CC=O)C(C)(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.COC(=O)C(C)(CC=O)C(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)C(C)(C)C.ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
12
3
reaction_33
USPTO_ozonolysis
train
5
1
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)C(C)(C)C.ClCCl|(5, 1);((1, 2), 3);((3, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(CC1COOO1)C(C)(C)C.ClCCl
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=O.COC(=O)C(C)(CC=[O+][O-])C(C)(C)C.ClCCl
COC(=O)C(C)(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)C(C)(C)C|(5, 1);((1, 2), 3);((3, 4), 4)
COC(=O)C(C)(CC1COOO1)C(C)(C)C
C=O.COC(=O)C(C)(CC=[O+][O-])C(C)(C)C
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCC(C)(C(=O)OC)C(C)(C)C.COC(=O)C(C)(CC1COOO1)C(C)(C)C.ClCCl.O=[O+][O-]
C=O.COC(=O)C(C)(CC=O)C(C)(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.COC(=O)C(C)(CC=O)C(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(C[CH:3]=[O+:4][O-:5])C(C)(C)C.ClCCl.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
12
2
reaction_33
USPTO_ozonolysis
train
5
2
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(C[CH:3]=[O+:4][O-:5])C(C)(C)C.ClCCl.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=O.COC(=O)C(C)(CC=[O+][O-])C(C)(C)C.ClCCl
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(CC1OCOO1)C(C)(C)C.ClCCl
COC(=O)C(C)(C[CH:3]=[O+:4][O-:5])C(C)(C)C.[CH2:1]=[O:2]|(5, 1);((1, 2), 3);((3, 4), 4)
C=O.COC(=O)C(C)(CC=[O+][O-])C(C)(C)C
COC(=O)C(C)(CC1OCOO1)C(C)(C)C
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCC(C)(C(=O)OC)C(C)(C)C.C=O.COC(=O)C(C)(CC=[O+][O-])C(C)(C)C.ClCCl.O=[O+][O-]
C=O.COC(=O)C(C)(CC=O)C(C)(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.COC(=O)C(C)(CC=O)C(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C([P:1](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(CC1OC[O:2][O:3]1)C(C)(C)C.ClCCl|(1, 3);((3, 2), 2)
12
1
reaction_33
USPTO_ozonolysis
train
5
3
true
C1=CC=C([P:1](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(CC1OC[O:2][O:3]1)C(C)(C)C.ClCCl|(1, 3);((3, 2), 2)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(CC1OCOO1)C(C)(C)C.ClCCl
COC(=O)C(C)(CC(OC[O-])O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C.ClCCl
C1=CC=C([P:1](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(CC1OC[O:2][O:3]1)C(C)(C)C|(1, 3);((3, 2), 2)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC(=O)C(C)(CC1OCOO1)C(C)(C)C
COC(=O)C(C)(CC(OC[O-])O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCC(C)(C(=O)OC)C(C)(C)C.COC(=O)C(C)(CC1OCOO1)C(C)(C)C.ClCCl.O=[O+][O-]
C=O.COC(=O)C(C)(CC=O)C(C)(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.COC(=O)C(C)(CC=O)C(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
COC(=O)C(C)(C[CH:1]([O:2][CH2:3][O-:4])[O:5][P+:6](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C.ClCCl|(4, 3);((3, 2), 1);((1, 5), 6)
12
0
reaction_33
USPTO_ozonolysis
train
5
4
true
COC(=O)C(C)(C[CH:1]([O:2][CH2:3][O-:4])[O:5][P+:6](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C.ClCCl|(4, 3);((3, 2), 1);((1, 5), 6)
COC(=O)C(C)(CC(OC[O-])O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C.ClCCl
C=O.COC(=O)C(C)(CC=O)C(C)(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
COC(=O)C(C)(C[CH:1]([O:2][CH2:3][O-:4])[O:5][P+:6](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C|(4, 3);((3, 2), 1);((1, 5), 6)
COC(=O)C(C)(CC(OC[O-])O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C
C=O.COC(=O)C(C)(CC=O)C(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCC(C)(C(=O)OC)C(C)(C)C.COC(=O)C(C)(CC(OC[O-])O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C.ClCCl.O=[O+][O-]
C=O.COC(=O)C(C)(CC=O)C(C)(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.COC(=O)C(C)(CC=O)C(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(C[CH:1]=[C:2](C)C)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+].[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
1
4
reaction_36
USPTO_ozonolysis
train
5
0
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(C[CH:1]=[C:2](C)C)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+].[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C)=CCC1(C(=O)OC(C)(C)C)C(C)CN1C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.O=[O+][O-].[Na+].[Na+]
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(CC1OOOC1(C)C)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]
CC1CN(C(=O)OC(C)(C)C)C1(C[CH:1]=[C:2](C)C)C(=O)OC(C)(C)C.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
CC(C)=CCC1(C(=O)OC(C)(C)C)C(C)CN1C(=O)OC(C)(C)C.O=[O+][O-]
CC1CN(C(=O)OC(C)(C)C)C1(CC1OOOC1(C)C)C(=O)OC(C)(C)C
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C)=CCC1(C(=O)OC(C)(C)C)C(C)CN1C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.O.O=S([O-])([O-])=S.O=[O+][O-].[Na+]
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=O)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.O=S([O-])([O-])=S.[Na+].[Na+]
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=O)C(=O)OC(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CO.CSC.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C([C:3](C3=CC=CC=C3)=[CH2:2])N=C2S1.[O+:1](=[O:4])[O-:5]|(5, 3);((3, 2), 4);((4, 1), 1)
25
4
reaction_36
USPTO_ozonolysis
train
5
0
true
CO.CSC.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C([C:3](C3=CC=CC=C3)=[CH2:2])N=C2S1.[O+:1](=[O:4])[O-:5]|(5, 3);((3, 2), 4);((4, 1), 1)
C=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1.CO.CSC.ClCCl.O=[O+][O-]
CO.CSC.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C(C3(C4=CC=CC=C4)COOO3)N=C2S1
FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C([C:3](C3=CC=CC=C3)=[CH2:2])N=C2S1.[O+:1](=[O:4])[O-:5]|(5, 3);((3, 2), 4);((4, 1), 1)
C=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1.O=[O+][O-]
FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C(C3(C4=CC=CC=C4)COOO3)N=C2S1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1.CC(C)=CCC1(C(=O)OC(C)(C)C)C(C)CN1C(=O)OC(C)(C)C.CO.CSC.ClC(Cl)Cl.ClCCl.O.O=S([O-])([O-])=S.O=[O+][O-].[Na+]
C=O.CO.CS(C)=O.ClCCl.O=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C=O.CS(C)=O.O=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(C[CH:1]1[O:2][O:3][O:4][C:5]1(C)C)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]|(2, 1);((1, 5), 4);((4, 3), 3)
1
3
reaction_36
USPTO_ozonolysis
train
5
1
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(C[CH:1]1[O:2][O:3][O:4][C:5]1(C)C)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]|(2, 1);((1, 5), 4);((4, 3), 3)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(CC1OOOC1(C)C)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=[O+][O-])C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]
CC1CN(C(=O)OC(C)(C)C)C1(C[CH:1]1[O:2][O:3][O:4][C:5]1(C)C)C(=O)OC(C)(C)C|(2, 1);((1, 5), 4);((4, 3), 3)
CC1CN(C(=O)OC(C)(C)C)C1(CC1OOOC1(C)C)C(=O)OC(C)(C)C
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=[O+][O-])C(=O)OC(C)(C)C
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C)=CCC1(C(=O)OC(C)(C)C)C(C)CN1C(=O)OC(C)(C)C.CC1CN(C(=O)OC(C)(C)C)C1(CC1OOOC1(C)C)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.O.O=S([O-])([O-])=S.O=[O+][O-].[Na+]
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=O)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.O=S([O-])([O-])=S.[Na+].[Na+]
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=O)C(=O)OC(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CO.CSC.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C([C:5]3(C4=CC=CC=C4)[CH2:1][O:2][O:3][O:4]3)N=C2S1|(4, 5);((5, 1), 2);((2, 3), 3)
25
3
reaction_36
USPTO_ozonolysis
train
5
1
true
CO.CSC.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C([C:5]3(C4=CC=CC=C4)[CH2:1][O:2][O:3][O:4]3)N=C2S1|(4, 5);((5, 1), 2);((2, 3), 3)
CO.CSC.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C(C3(C4=CC=CC=C4)COOO3)N=C2S1
C=O.CO.CSC.ClCCl.[O-][O+]=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C([C:5]3(C4=CC=CC=C4)[CH2:1][O:2][O:3][O:4]3)N=C2S1|(4, 5);((5, 1), 2);((2, 3), 3)
FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C(C3(C4=CC=CC=C4)COOO3)N=C2S1
C=O.[O-][O+]=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C)=CCC1(C(=O)OC(C)(C)C)C(C)CN1C(=O)OC(C)(C)C.CO.CSC.ClC(Cl)Cl.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C(C3(C4=CC=CC=C4)COOO3)N=C2S1.O.O=S([O-])([O-])=S.O=[O+][O-].[Na+]
C=O.CO.CS(C)=O.ClCCl.O=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C=O.CS(C)=O.O=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(C[CH:1]=[O+:2][O-:3])C(=O)OC(C)(C)C.CO.C[C:4](C)=[O:5].ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]|(3, 4);((4, 5), 1);((1, 2), 2)
1
2
reaction_36
USPTO_ozonolysis
train
5
2
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(C[CH:1]=[O+:2][O-:3])C(=O)OC(C)(C)C.CO.C[C:4](C)=[O:5].ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]|(3, 4);((4, 5), 1);((1, 2), 2)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=[O+][O-])C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(CC1OOC(C)(C)O1)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]
CC1CN(C(=O)OC(C)(C)C)C1(C[CH:1]=[O+:2][O-:3])C(=O)OC(C)(C)C.C[C:4](C)=[O:5]|(3, 4);((4, 5), 1);((1, 2), 2)
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=[O+][O-])C(=O)OC(C)(C)C
CC1CN(C(=O)OC(C)(C)C)C1(CC1OOC(C)(C)O1)C(=O)OC(C)(C)C
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C)=CCC1(C(=O)OC(C)(C)C)C(C)CN1C(=O)OC(C)(C)C.CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=[O+][O-])C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.O.O=S([O-])([O-])=S.O=[O+][O-].[Na+]
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=O)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.O=S([O-])([O-])=S.[Na+].[Na+]
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=O)C(=O)OC(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CO.CSC.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C([C:5](C3=CC=CC=C3)=[O+:4][O-:3])N=C2S1.[CH2:1]=[O:2]|(3, 1);((1, 2), 5);((5, 4), 4)
25
2
reaction_36
USPTO_ozonolysis
train
5
2
true
CO.CSC.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C([C:5](C3=CC=CC=C3)=[O+:4][O-:3])N=C2S1.[CH2:1]=[O:2]|(3, 1);((1, 2), 5);((5, 4), 4)
C=O.CO.CSC.ClCCl.[O-][O+]=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
CO.CSC.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C(C3(C4=CC=CC=C4)OCOO3)N=C2S1
FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C([C:5](C3=CC=CC=C3)=[O+:4][O-:3])N=C2S1.[CH2:1]=[O:2]|(3, 1);((1, 2), 5);((5, 4), 4)
C=O.[O-][O+]=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C(C3(C4=CC=CC=C4)OCOO3)N=C2S1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=O.CC(C)=CCC1(C(=O)OC(C)(C)C)C(C)CN1C(=O)OC(C)(C)C.CO.CSC.ClC(Cl)Cl.ClCCl.O.O=S([O-])([O-])=S.O=[O+][O-].[Na+].[O-][O+]=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C=O.CO.CS(C)=O.ClCCl.O=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C=O.CS(C)=O.O=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C1=CC=C([P:3](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(CC1OC(C)(C)[O:2][O:1]1)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]|(3, 1);((1, 2), 2)
1
1
reaction_36
USPTO_ozonolysis
train
5
3
true
C1=CC=C([P:3](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(CC1OC(C)(C)[O:2][O:1]1)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]|(3, 1);((1, 2), 2)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(CC1OOC(C)(C)O1)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]
CC1CN(C(=O)OC(C)(C)C)C1(CC(OC(C)(C)[O-])O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]
C1=CC=C([P:3](C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(CC1OC(C)(C)[O:2][O:1]1)C(=O)OC(C)(C)C|(3, 1);((1, 2), 2)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1CN(C(=O)OC(C)(C)C)C1(CC1OOC(C)(C)O1)C(=O)OC(C)(C)C
CC1CN(C(=O)OC(C)(C)C)C1(CC(OC(C)(C)[O-])O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C)=CCC1(C(=O)OC(C)(C)C)C(C)CN1C(=O)OC(C)(C)C.CC1CN(C(=O)OC(C)(C)C)C1(CC1OOC(C)(C)O1)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.O.O=S([O-])([O-])=S.O=[O+][O-].[Na+]
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=O)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.O=S([O-])([O-])=S.[Na+].[Na+]
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=O)C(=O)OC(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CO.C[S:1]C.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C(C3(C4=CC=CC=C4)OC[O:2][O:3]3)N=C2S1|(1, 3);((3, 2), 2)
25
1
reaction_36
USPTO_ozonolysis
train
5
3
true
CO.C[S:1]C.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C(C3(C4=CC=CC=C4)OC[O:2][O:3]3)N=C2S1|(1, 3);((3, 2), 2)
CO.CSC.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C(C3(C4=CC=CC=C4)OCOO3)N=C2S1
CO.C[S+](C)OC(OC[O-])(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1.ClCCl
C[S:1]C.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C(C3(C4=CC=CC=C4)OC[O:2][O:3]3)N=C2S1|(1, 3);((3, 2), 2)
CSC.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C(C3(C4=CC=CC=C4)OCOO3)N=C2S1
C[S+](C)OC(OC[O-])(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C)=CCC1(C(=O)OC(C)(C)C)C(C)CN1C(=O)OC(C)(C)C.CO.CSC.ClC(Cl)Cl.ClCCl.FC1=CC(C2OCCCO2)=CC=C1C1=NC2=CC=C(C3(C4=CC=CC=C4)OCOO3)N=C2S1.O.O=S([O-])([O-])=S.O=[O+][O-].[Na+]
C=O.CO.CS(C)=O.ClCCl.O=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C=O.CS(C)=O.O=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
CC1CN(C(=O)OC(C)(C)C)C1(C[CH:1]([O:2][C:3](C)(C)[O-:4])[O:5][P+:6](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]|(4, 3);((3, 2), 1);((1, 5), 6)
1
0
reaction_36
USPTO_ozonolysis
train
5
4
true
CC1CN(C(=O)OC(C)(C)C)C1(C[CH:1]([O:2][C:3](C)(C)[O-:4])[O:5][P+:6](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]|(4, 3);((3, 2), 1);((1, 5), 6)
CC1CN(C(=O)OC(C)(C)C)C1(CC(OC(C)(C)[O-])O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=S([O-])([O-])=S.[Na+].[Na+]
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=O)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.O=S([O-])([O-])=S.[Na+].[Na+]
CC1CN(C(=O)OC(C)(C)C)C1(C[CH:1]([O:2][C:3](C)(C)[O-:4])[O:5][P+:6](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C|(4, 3);((3, 2), 1);((1, 5), 6)
CC1CN(C(=O)OC(C)(C)C)C1(CC(OC(C)(C)[O-])O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=O)C(=O)OC(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C)=CCC1(C(=O)OC(C)(C)C)C(C)CN1C(=O)OC(C)(C)C.CC1CN(C(=O)OC(C)(C)C)C1(CC(OC(C)(C)[O-])O[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.O.O=S([O-])([O-])=S.O=[O+][O-].[Na+]
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=O)C(=O)OC(C)(C)C.CO.ClC(Cl)Cl.ClC(Cl)Cl.O.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.O=S([O-])([O-])=S.[Na+].[Na+]
CC(C)=O.CC1CN(C(=O)OC(C)(C)C)C1(CC=O)C(=O)OC(C)(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CO.C[S+:1](C)[O:2][C:3](C1=CC=CC=C1)(C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1)[O:4][CH2:5][O-:6].ClCCl|(6, 5);((5, 4), 3);((3, 2), 1)
25
0
reaction_36
USPTO_ozonolysis
train
5
4
true
CO.C[S+:1](C)[O:2][C:3](C1=CC=CC=C1)(C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1)[O:4][CH2:5][O-:6].ClCCl|(6, 5);((5, 4), 3);((3, 2), 1)
CO.C[S+](C)OC(OC[O-])(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1.ClCCl
C=O.CO.CS(C)=O.ClCCl.O=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C[S+:1](C)[O:2][C:3](C1=CC=CC=C1)(C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1)[O:4][CH2:5][O-:6]|(6, 5);((5, 4), 3);((3, 2), 1)
C[S+](C)OC(OC[O-])(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C=O.CS(C)=O.O=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(C)=CCC1(C(=O)OC(C)(C)C)C(C)CN1C(=O)OC(C)(C)C.CO.C[S+](C)OC(OC[O-])(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1.ClC(Cl)Cl.ClCCl.O.O=S([O-])([O-])=S.O=[O+][O-].[Na+]
C=O.CO.CS(C)=O.ClCCl.O=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C=O.CS(C)=O.O=C(C1=CC=CC=C1)C1=CC=C2N=C(C3=CC=C(C4OCCCO4)C=C3F)SC2=N1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CCC(C[CH:1]=[CH2:2])(C(=O)OC)C(C)C.ClCCl.[O-:3][O+:4]=[O:5].[O-]OO|(3, 2);((2, 1), 5);((5, 4), 4)
8
4
reaction_37
USPTO_ozonolysis
train
5
0
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CCC(C[CH:1]=[CH2:2])(C(=O)OC)C(C)C.ClCCl.[O-:3][O+:4]=[O:5].[O-]OO|(3, 2);((2, 1), 5);((5, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCC(CC)(C(=O)OC)C(C)C.ClCCl.O=[O+][O-].[O-]OO
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CCC(CC1COOO1)(C(=O)OC)C(C)C.ClCCl.[O-]OO
CCC(C[CH:1]=[CH2:2])(C(=O)OC)C(C)C.[O-:3][O+:4]=[O:5]|(3, 2);((2, 1), 5);((5, 4), 4)
C=CCC(CC)(C(=O)OC)C(C)C.O=[O+][O-]
CCC(CC1COOO1)(C(=O)OC)C(C)C
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCC(CC)(C(=O)OC)C(C)C.ClCCl.O=[O+][O-].[O-]OO
C=O.CCC(CC=O)(C(=O)OC)C(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[O-]OO
C=O.CCC(CC=O)(C(=O)OC)C(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CC1(C)C2CC1[C:1](=[CH2:2])CC2=O.CO.CSC.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
16
4
reaction_37
USPTO_ozonolysis
train
5
0
true
CC1(C)C2CC1[C:1](=[CH2:2])CC2=O.CO.CSC.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=C1CC(=O)C2CC1C2(C)C.CO.CSC.O=[O+][O-]
CC1(C)C2CC1C1(COOO1)CC2=O.CO.CSC
CC1(C)C2CC1[C:1](=[CH2:2])CC2=O.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=C1CC(=O)C2CC1C2(C)C.O=[O+][O-]
CC1(C)C2CC1C1(COOO1)CC2=O
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=C1CC(=O)C2CC1C2(C)C.C=CCC(CC)(C(=O)OC)C(C)C.CO.CSC.ClCCl.O=[O+][O-].[O-]OO
C=O.CC1(C)C2CC1C(=O)CC2=O.CO.CS(C)=O
C=O.CC1(C)C2CC1C(=O)CC2=O.CS(C)=O
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC1=C(OC)N=C2C([CH:1]=[CH2:2])=C(Cl)C(Cl)=CC2=N1.ClC(Cl)Cl.O.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
33
4
reaction_37
USPTO_ozonolysis
train
5
0
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC1=C(OC)N=C2C([CH:1]=[CH2:2])=C(Cl)C(Cl)=CC2=N1.ClC(Cl)Cl.O.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CC1=C(Cl)C(Cl)=CC2=NC(OC)=C(OC)N=C12.ClC(Cl)Cl.O.O=[O+][O-]
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC1=C(OC)N=C2C(C3COOO3)=C(Cl)C(Cl)=CC2=N1.ClC(Cl)Cl.O
COC1=C(OC)N=C2C([CH:1]=[CH2:2])=C(Cl)C(Cl)=CC2=N1.[O-:3][O+:4]=[O:5]|(3, 1);((1, 2), 5);((5, 4), 4)
C=CC1=C(Cl)C(Cl)=CC2=NC(OC)=C(OC)N=C12.O=[O+][O-]
COC1=C(OC)N=C2C(C3COOO3)=C(Cl)C(Cl)=CC2=N1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CC1=C(Cl)C(Cl)=CC2=NC(OC)=C(OC)N=C12.C=CCC(CC)(C(=O)OC)C(C)C.ClC(Cl)Cl.ClCCl.O.O=[O+][O-].[O-]OO
C=O.COC1=NC2=CC(Cl)=C(Cl)C(C=O)=C2N=C1OC.ClC(Cl)Cl.O.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C=O.COC1=NC2=CC(Cl)=C(Cl)C(C=O)=C2N=C1OC.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CCC(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)(C(=O)OC)C(C)C.ClCCl.[O-]OO|(5, 1);((1, 2), 3);((3, 4), 4)
8
3
reaction_37
USPTO_ozonolysis
train
5
1
true
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CCC(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)(C(=O)OC)C(C)C.ClCCl.[O-]OO|(5, 1);((1, 2), 3);((3, 4), 4)
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CCC(CC1COOO1)(C(=O)OC)C(C)C.ClCCl.[O-]OO
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=O.CCC(CC=[O+][O-])(C(=O)OC)C(C)C.ClCCl.[O-]OO
CCC(C[CH:1]1[CH2:2][O:3][O:4][O:5]1)(C(=O)OC)C(C)C|(5, 1);((1, 2), 3);((3, 4), 4)
CCC(CC1COOO1)(C(=O)OC)C(C)C
C=O.CCC(CC=[O+][O-])(C(=O)OC)C(C)C
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCC(CC)(C(=O)OC)C(C)C.CCC(CC1COOO1)(C(=O)OC)C(C)C.ClCCl.O=[O+][O-].[O-]OO
C=O.CCC(CC=O)(C(=O)OC)C(C)C.ClCCl.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[O-]OO
C=O.CCC(CC=O)(C(=O)OC)C(C)C.O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CC1(C)C2CC1[C:1]1(CC2=O)[CH2:2][O:3][O:4][O:5]1.CO.CSC|(5, 1);((1, 2), 3);((3, 4), 4)
16
3
reaction_37
USPTO_ozonolysis
train
5
1
true
CC1(C)C2CC1[C:1]1(CC2=O)[CH2:2][O:3][O:4][O:5]1.CO.CSC|(5, 1);((1, 2), 3);((3, 4), 4)
CC1(C)C2CC1C1(COOO1)CC2=O.CO.CSC
C=O.CC1(C)C2CC1C(=[O+][O-])CC2=O.CO.CSC
CC1(C)C2CC1[C:1]1(CC2=O)[CH2:2][O:3][O:4][O:5]1|(5, 1);((1, 2), 3);((3, 4), 4)
CC1(C)C2CC1C1(COOO1)CC2=O
C=O.CC1(C)C2CC1C(=[O+][O-])CC2=O
C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C=CCC(CC)(C(=O)OC)C(C)C.CC1(C)C2CC1C1(COOO1)CC2=O.CO.CSC.ClCCl.O=[O+][O-].[O-]OO
C=O.CC1(C)C2CC1C(=O)CC2=O.CO.CS(C)=O
C=O.CC1(C)C2CC1C(=O)CC2=O.CS(C)=O
End of preview. Expand in Data Studio
README.md exists but content is empty.
Downloads last month
-
Size of downloaded dataset files:
84 kB
Size of the auto-converted Parquet files:
84 kB
Number of rows:
235

Collection including SchwallerGroup/uspto_ozonolysis