reaction_id stringlengths 36 36 | dataset_id stringclasses 330
values | proto stringlengths 780 136k | dataset_name stringclasses 328
values | dataset_description stringclasses 326
values | inputs_smiles listlengths 1 42 | products_smiles listlengths 0 250 | doi null |
|---|---|---|---|---|---|---|---|
ord-56b1f4bfeebc4b8ab990b9804e798aa7 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChUIARIOcmVhY3Rpb24gaW5kZXgaATAKUQgFEg1yZWFjdGlvbiB0eXBlGj4xLjMuMSBbTi1hcnlsYXRpb24gd2l0aCBBci1YXSBCcm9tbyBCdWNod2FsZC1IYXJ0d2lnIGFtaW5hdGlvbhItCgVhbWluZRIkCiIKEQgCGg1DQyhDKU4xQ0NOQ0MxEgkSBw1Y/+c6GAEYASAAEl4KC2FyeWwgaGFsaWRlEk8KTQo8CAIaOENDT0MxPUMoQz1DMkMoPUMxKU49Q0MoPUMyTkMzPUMoQz1DKEM9QzMpRilGKUMoPU8pT0NDKUJyEgkSBw10... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8",
"C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]",
"CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=C(C=C(C=C3)F)F)C(... | [
"CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=C(C=C(C=C3)F)F)C(=O)OCC)N4CCN(CC4)C(C)C"
] | null |
ord-1169cbe9fa064a879ac34b2e524a4e69 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChUIARIOcmVhY3Rpb24gaW5kZXgaATEKUAgFEg1yZWFjdGlvbiB0eXBlGj0xLjMuNCBbTi1hcnlsYXRpb24gd2l0aCBBci1YXSBJb2RvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEj8KBWFtaW5lEjYKNAojCAIaH0NOMUM9TkMyPUMxQz1DKEMoPUMyRilOKUMoPU8pT0MSCRIHDTGx+TsYARgBIAASNAoLYXJ5bCBoYWxpZGUSJQojChIIAhoOQzE9Q0M9QyhDPUMxKUkSCRIHDfC/FTwYARgBIAASmwIKEG1ldGFsIGFuZCBs... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"COC1=CC=CC=C1",
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"C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]",
"C1=CC=C(C=C1)I",
"CN1C=NC2=C1C=C(C(=... | [
"CN1C=NC2=C1C=C(C(=C2F)NC3=CC=CC=C3)C(=O)OC"
] | null |
ord-13992005c22d4673aa802b5e140076e8 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChUIARIOcmVhY3Rpb24gaW5kZXgaATMKUAgFEg1yZWFjdGlvbiB0eXBlGj0xLjMuNCBbTi1hcnlsYXRpb24gd2l0aCBBci1YXSBJb2RvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEj8KBWFtaW5lEjYKNAojCAIaH0NOMUM9TkMyPUMxQz1DKEMoPUMyRilOKUMoPU8pT0MSCRIHDXIz3DsYARgBIAASNAoLYXJ5bCBoYWxpZGUSJQojChIIAhoOQzE9Q0M9QyhDPUMxKUkSCRIHDRcOBDwYARgBIAASmwIKEG1ldGFsIGFuZCBs... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"COC1=CC=CC=C1",
"CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C",
"C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]",
"C1=CC=C(C=C1)I",
"CN1C=NC2=C1C=C(C(=... | [
"CN1C=NC2=C1C=C(C(=C2F)NC3=CC=CC=C3)C(=O)OC"
] | null |
ord-a36b48917c9942d1a34637511773ee1f | ord_dataset-00005539a1e04c809a9a78647bea649c | ChUIARIOcmVhY3Rpb24gaW5kZXgaATQKUAgFEg1yZWFjdGlvbiB0eXBlGj0xLjMuNCBbTi1hcnlsYXRpb24gd2l0aCBBci1YXSBJb2RvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEj8KBWFtaW5lEjYKNAojCAIaH0NOMUM9TkMyPUMxQz1DKEMoPUMyRilOKUMoPU8pT0MSCRIHDXIz3DsYARgBIAASNAoLYXJ5bCBoYWxpZGUSJQojChIIAhoOQzE9Q0M9QyhDPUMxKUkSCRIHDRcOBDwYARgBIAASmwIKEG1ldGFsIGFuZCBs... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"COC1=CC=CC=C1",
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"C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]",
"C1=CC=C(C=C1)I",
"CN1C=NC2=C1C=C(C(=... | [
"CN1C=NC2=C1C=C(C(=C2F)NC3=CC=CC=C3)C(=O)OC"
] | null |
ord-5fc624fd97b7430eafbe8dcc049d170b | ord_dataset-00005539a1e04c809a9a78647bea649c | ChUIARIOcmVhY3Rpb24gaW5kZXgaATcKMAgFEg1yZWFjdGlvbiB0eXBlGh0wLjAgW1VuYXNzaWduZWRdIFVucmVjb2duaXplZBI4CgVhbWluZRIvCi0KHAgCGhhDMT1DQyg9Q0M9QzFOKVMoPU8pKD1PKU4SCRIHDQWjEj0YARgBIAASRwoLYXJ5bCBoYWxpZGUSOAo2CiUIAhohQ0MxPU5DKD1DKEM9QzEpT0MyPUNDKD1OQz1DMilDbClDEgkSBw1lGeI8GAEYASAAEqsBChBtZXRhbCBhbmQgbGlnYW5kEpYBCmkKWAgCGlRDQzEo... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"CC(=O)N(C)C",
"CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C",
"CC(=O)O.CC(=O)O.[Pd]",
"CC1=NC(=C(C=C1)OC2=CC(=NC=C2)Cl)C",
"C1=CC(=CC=C1N)S(=O)(=O)N"
] | [
"CC1=NC(=C(C=C1)OC2=CC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)N)C"
] | null |
ord-c34e3f2a76e4462999414a169b276944 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChUIARIOcmVhY3Rpb24gaW5kZXgaATgKMAgFEg1yZWFjdGlvbiB0eXBlGh0wLjAgW1VuYXNzaWduZWRdIFVucmVjb2duaXplZBI4CgVhbWluZRIvCi0KHAgCGhhDMT1DQyg9Q0M9QzFOKVMoPU8pKD1PKU4SCRIHDRzrYj0YARgBIAASRwoLYXJ5bCBoYWxpZGUSOAo2CiUIAhohQ0MxPU5DKD1DKEM9QzEpT0MyPUNDKD1OQz1DMilDbClDEgkSBw1WfS49GAEYASAAEqsBChBtZXRhbCBhbmQgbGlnYW5kEpYBCmkKWAgCGlRDQzEo... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"CC(=O)N(C)C",
"CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C",
"CC(=O)O.CC(=O)O.[Pd]",
"CC1=NC(=C(C=C1)OC2=CC(=NC=C2)Cl)C",
"C1=CC(=CC=C1N)S(=O)(=O)N"
] | [
"CC1=NC(=C(C=C1)OC2=CC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)N)C"
] | null |
ord-5853dba403864121802609ae67a6fbe4 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChUIARIOcmVhY3Rpb24gaW5kZXgaATkKMAgFEg1yZWFjdGlvbiB0eXBlGh0wLjAgW1VuYXNzaWduZWRdIFVucmVjb2duaXplZBI4CgVhbWluZRIvCi0KHAgCGhhDMT1DQyg9Q0M9QzFOKVMoPU8pKD1PKU4SCRIHDcbcNTwYARgBIAASRwoLYXJ5bCBoYWxpZGUSOAo2CiUIAhohQ0MxPU5DKD1DKEM9QzEpT0MyPUNDKD1OQz1DMilDbClDEgkSBw14lws8GAEYASAAEqsBChBtZXRhbCBhbmQgbGlnYW5kEpYBCmkKWAgCGlRDQzEo... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"CC(=O)N(C)C",
"CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C",
"CC(=O)O.CC(=O)O.[Pd]",
"CC1=NC(=C(C=C1)OC2=CC(=NC=C2)Cl)C",
"C1=CC(=CC=C1N)S(=O)(=O)N"
] | [
"CC1=NC(=C(C=C1)OC2=CC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)N)C"
] | null |
ord-0c597cbe4940491092243bda6c97b98c | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjEwCjAIBRINcmVhY3Rpb24gdHlwZRodMC4wIFtVbmFzc2lnbmVkXSBVbnJlY29nbml6ZWQSOAoFYW1pbmUSLwotChwIAhoYQzE9Q0MoPUNDPUMxTilTKD1PKSg9TylOEgkSBw28dBM9GAEYASAAEkcKC2FyeWwgaGFsaWRlEjgKNgolCAIaIUNDMT1OQyg9QyhDPUMxKU9DMj1DQyg9TkM9QzIpQ2wpQxIJEgcNHOviPBgBGAEgABKrAQoQbWV0YWwgYW5kIGxpZ2FuZBKWAQppClgIAhpUQ0Mx... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"CC(=O)N(C)C",
"CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C",
"CC(=O)O.CC(=O)O.[Pd]",
"CC1=NC(=C(C=C1)OC2=CC(=NC=C2)Cl)C",
"C1=CC(=CC=C1N)S(=O)(=O)N"
] | [
"CC1=NC(=C(C=C1)OC2=CC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)N)C"
] | null |
ord-b3c4a680709749268aeba07b670223ef | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjExClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SLgoFYW1pbmUSJQojChIIAhoOQ0MoPU8pTjFDQ05DQzESCRIHDbnCuzsYARgBIAASNwoLYXJ5bCBoYWxpZGUSKAomChUIAhoRQzE9QyhDPU5DPUMxQnIpQnISCRIHDcNkqjsYARgBIAASqwEKEG1ldGFsIGFuZCBsaWdhbmQSlgEKaQpY... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C",
"CC(=O)O.CC(=O)O.[Pd]",
"C1=C(C=NC=C1Br)Br",
"CC(=O)N1CCNCC1"
] | [
"CC(=O)N1CCN(CC1)C2=CC(=CN=C2)Br"
] | null |
ord-fa122fe6774f45c5b7a107c1460052d3 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjEyClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEjcKBWFtaW5lEi4KLAobCAIaF0MxPUNDKD1DQz1DMU4pTjJDPUNOPUMyEgkSBw0mHeU5GAEYASAAEkwKC2FyeWwgaGFsaWRlEj0KOwoqCAIaJkNOMUNDKE9DMj1DKEMxKUM9Q0MoPU4yKUNsKUMzPUNDPUNDPUMzEgkSBw0mHeU5GAEY... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"COCCOC",
"C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4=CC=CC=C4",
"CC(=O)O.CC(=O)O.[Pd]",
"CN1CC(OC2=C(C1)C=CC(=N2)Cl)C3=CC=CC=C3",
"C1=CC(=CC=C1N)N2C=CN=C2"
] | [
"CN1CC(OC2=C(C1)C=CC(=N2)NC3=CC=C(C=C3)N4C=CN=C4)C5=CC=CC=C5"
] | null |
ord-8ce809cf74f44b02a581dcd94f0c1ae0 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjEzClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEj4KBWFtaW5lEjUKMwoiCAIaHkNDMT1DTihDPU4xKUMyPUMoQz1DKEM9QzIpTilPQxIJEgcNB0IyORgBGAEgABJRCgthcnlsIGhhbGlkZRJCCkAKLwgCGitDQyg9TylOMUNDKE9DMj1DKEMxKUM9Q0MoPU4yKUNsKUMzPUNOPUNDPUMz... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"COCCOC",
"C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4=CC=CC=C4",
"CC(=O)O.CC(=O)O.[Pd]",
"CC(=O)N1CC(OC2=C(C1)C=CC(=N2)Cl)C3=CN=CC=C3",
"CC1=CN(C=N1)C2=C(C=C(C=C2)N)OC"
] | [
"CC1=CN(C=N1)C2=C(C=C(C=C2)NC3=NC4=C(CN(CC(O4)C5=CN=CC=C5)C(=O)C)C=C3)OC"
] | null |
ord-373fd601db1247b0b18c34bca387c3a4 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjE0ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEj4KBWFtaW5lEjUKMwoiCAIaHkNDMT1DTihDPU4xKUMyPUMoQz1DKEM9QzIpTilPQxIJEgcNZMqHORgBGAEgABJMCgthcnlsIGhhbGlkZRI9CjsKKggCGiZDTjFDQyhPQzI9QyhDMSlDPUNDKD1OMilDbClDMz1DTj1DQz1DMxIJEgcN... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"COCCOC",
"C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4=CC=CC=C4",
"CC(=O)O.CC(=O)O.[Pd]",
"CN1CC(OC2=C(C1)C=CC(=N2)Cl)C3=CN=CC=C3",
"CC1=CN(C=N1)C2=C(C=C(C=C2)N)OC"
] | [
"CC1=CN(C=N1)C2=C(C=C(C=C2)NC3=NC4=C(CN(CC(O4)C5=CN=CC=C5)C)C=C3)OC"
] | null |
ord-79caf81165b848e5b1765189056bb075 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjE3CjAIBRINcmVhY3Rpb24gdHlwZRodMC4wIFtVbmFzc2lnbmVkXSBVbnJlY29nbml6ZWQSLwoFYW1pbmUSJgokChMIAhoPQ0MoQykoQylPQyg9TylOEgkSBw0noIk6GAEYASAAEjYKC2FyeWwgaGFsaWRlEicKJQoUCAIaEEMxPUNOPUMoQz1DMUYpQ2wSCRIHDW8SgzoYARgBIAASmwIKEG1ldGFsIGFuZCBsaWdhbmQShgIKaQpYCAIaVENDMShDMj1DKEMoPUNDPUMyKVAoQzM9Q0M9Q0M9... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"C1COCCO1",
"CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C",
"C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]",
"C1=CN=C(C=C1F)Cl",
"CC(C)(C)OC(=O)N"
] | [
"CC(C)(C)OC(=O)NC1=NC=CC(=C1)F"
] | null |
ord-4695ad3979554c448a445867cc030440 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjE4ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEjUKBWFtaW5lEiwKKgoZCAIaFUNPQzE9QyhDPUNDKD1DMSlDPU8pThIJEgcNUWsaPRgBGAEgABJKCgthcnlsIGhhbGlkZRI7CjkKKAgCGiRDMT1DQzI9TkM9QyhOMkM9QzEpQzM9TkMoPU5DPUMzQ2wpQ2wSCRIHDf5ldzwYARgBIAAS... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | null |
ord-56220a6924fb4d7e8ff752a004488872 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjE5ClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SQwoFYW1pbmUSOgo4CicIAhojQ0MxPU5DPUMoTjFDMkNDT0NDMilDMz1OQyg9TkM9QzNGKU4SCRIHDZpEvTkYARgBIAASQQoLYXJ5bCBoYWxpZGUSMgowCh8IAhobQzFDT0NDTjFDQzI9Q0MoPUMoQz1DMilCcilGEgkSBw1wJNA5GAEY... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | null |
ord-b9ea1ddb99074c47af3b567d6c34306c | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjIwClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SQwoFYW1pbmUSOgo4CicIAhojQ0MxPU5DPUMoTjFDMkNDT0NDMilDMz1OQyg9TkM9QzNGKU4SCRIHDZpEvTkYARgBIAASQQoLYXJ5bCBoYWxpZGUSMgowCh8IAhobQzFDT0NDTjFDQzI9Q0MoPUMoQz1DMilCcilGEgkSBw1wJNA5GAEY... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-572b233d6c664fada44bd8d3bb48fc2f | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjIxClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SQwoFYW1pbmUSOgo4CicIAhojQ0MxPU5DPUMoTjFDMkNDT0NDMilDMz1OQyg9TkM9QzNGKU4SCRIHDZpEvTkYARgBIAASQQoLYXJ5bCBoYWxpZGUSMgowCh8IAhobQzFDT0NDTjFDQzI9Q0MoPUMoQz1DMilCcilGEgkSBw1wJNA5GAEY... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-2c710cb7fbbd4d70b492cf6ab2e6cbf5 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjIyClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SQwoFYW1pbmUSOgo4CicIAhojQ0MxPU5DPUMoTjFDMkNDT0NDMilDMz1OQyg9TkM9QzNGKU4SCRIHDZpEvTkYARgBIAASQQoLYXJ5bCBoYWxpZGUSMgowCh8IAhobQzFDT0NDTjFDQzI9Q0MoPUMoQz1DMilCcilGEgkSBw1wJNA5GAEY... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | null |
ord-ea29507936c14849a1aa88403efb7090 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjIzClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SQwoFYW1pbmUSOgo4CicIAhojQ0MxPU5DPUMoTjFDMkNDT0NDMilDMz1OQyg9TkM9QzNGKU4SCRIHDZpEvTkYARgBIAASQQoLYXJ5bCBoYWxpZGUSMgowCh8IAhobQzFDT0NDTjFDQzI9Q0MoPUMoQz1DMilCcilGEgkSBw1wJNA5GAEY... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | null |
ord-28a0ca5c779744199b5c278aec8fa826 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjI0ClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SQwoFYW1pbmUSOgo4CicIAhojQ0MxPU5DPUMoTjFDMkNDT0NDMilDMz1OQyg9TkM9QzNGKU4SCRIHDZpEvTkYARgBIAASQQoLYXJ5bCBoYWxpZGUSMgowCh8IAhobQzFDT0NDTjFDQzI9Q0MoPUMoQz1DMilCcilGEgkSBw1wJNA5GAEY... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-3e57b5a0d75c4f5d9c22ce74626f60c3 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjI1ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEjkKBWFtaW5lEjAKLgodCAIaGUMxT0MyPUMoTzEpQyg9QyhDPUMyKUNsKU4SCRIHDZYJvzsYARgBIAASPAoLYXJ5bCBoYWxpZGUSLQorChoIAhoWQ0MoPU8pTkMxPU5DPUNDKD1DMSlDbBIJEgcNlgm/OxgBGAEgABKrAQoQbWV0YWwg... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-bc24f3de1ac64e7e96966f7efd955e5c | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjI2ClAIBRINcmVhY3Rpb24gdHlwZRo9MS4zLjQgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gSW9kbyBCdWNod2FsZC1IYXJ0d2lnIGFtaW5hdGlvbhI5CgVhbWluZRIwCi4KHQgCGhlDTjFDQ0MyPUMoQzE9TylDKD1DQz1DMilOEgkSBw3i6ZU8GAEYASAAEjoKC2FyeWwgaGFsaWRlEisKKQoYCAIaFEMxPUMoQyg9Q049QzFDbClDbClJEgkSBw3i6ZU8GAEYASAAEqsBChBtZXRhbCBhbmQg... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-702aadae7425481bab668d630b5a0a21 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjI3ClAIBRINcmVhY3Rpb24gdHlwZRo9MS4zLjQgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gSW9kbyBCdWNod2FsZC1IYXJ0d2lnIGFtaW5hdGlvbhI5CgVhbWluZRIwCi4KHQgCGhlDTjFDQ0MyPUMoQzE9TylDKD1DQz1DMilOEgkSBw0ahg87GAEYASAAEjoKC2FyeWwgaGFsaWRlEisKKQoYCAIaFEMxPUMoQyg9Q049QzFDbClDbClJEgkSBw0ahg87GAEYASAAEqsBChBtZXRhbCBhbmQg... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-b62d19842af048f4873fe9a01ff50f3b | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjI4ClAIBRINcmVhY3Rpb24gdHlwZRo9MS4zLjQgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gSW9kbyBCdWNod2FsZC1IYXJ0d2lnIGFtaW5hdGlvbhI5CgVhbWluZRIwCi4KHQgCGhlDTjFDQ0MyPUMoQzE9TylDKD1DQz1DMilOEgkSBw2J0l48GAEYASAAEjoKC2FyeWwgaGFsaWRlEisKKQoYCAIaFEMxPUMoQyg9Q049QzFDbClDbClJEgkSBw2J0l48GAEYASAAEqsBChBtZXRhbCBhbmQg... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-d1c742201cbe4cf0aa1fbc6e2537aa34 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjI5ClAIBRINcmVhY3Rpb24gdHlwZRo9MS4zLjQgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gSW9kbyBCdWNod2FsZC1IYXJ0d2lnIGFtaW5hdGlvbhI5CgVhbWluZRIwCi4KHQgCGhlDTjFDQ0MyPUMoQzE9TylDKD1DQz1DMilOEgkSBw08TlE9GAEYASAAEjoKC2FyeWwgaGFsaWRlEisKKQoYCAIaFEMxPUMoQyg9Q049QzFDbClDbClJEgkSBw08TlE9GAEYASAAEqsBChBtZXRhbCBhbmQg... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
"CN1CCC2=C(C1=O)C(=CC=C2)NC3=CC(=NC=C3Cl)Cl"
] | null |
ord-f766bf8ef3f8450eb6d323fd10519896 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjMwClAIBRINcmVhY3Rpb24gdHlwZRo9MS4zLjQgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gSW9kbyBCdWNod2FsZC1IYXJ0d2lnIGFtaW5hdGlvbhI0CgVhbWluZRIrCikKGAgCGhRDT05DKD1PKUMxPUNDPUNDPUMxThIJEgcNvHSTPhgBGAEgABI6CgthcnlsIGhhbGlkZRIrCikKGAgCGhRDMT1DKEMoPUNOPUMxQ2wpQ2wpSRIJEgcNukmMPhgBGAEgABKrAQoQbWV0YWwgYW5kIGxpZ2Fu... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
"CONC(=O)C1=CC=CC=C1NC2=CC(=NC=C2Cl)Cl"
] | null |
ord-aaefdd638c464adeb91c856ec0ce39ed | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjMxClAIBRINcmVhY3Rpb24gdHlwZRo9MS4zLjQgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gSW9kbyBCdWNod2FsZC1IYXJ0d2lnIGFtaW5hdGlvbhI0CgVhbWluZRIrCikKGAgCGhRDT05DKD1PKUMxPUNDPUNDPUMxThIJEgcNL24jPRgBGAEgABI6CgthcnlsIGhhbGlkZRIrCikKGAgCGhRDMT1DKEMoPUNOPUMxQ2wpQ2wpSRIJEgcN46UbPRgBGAEgABKrAQoQbWV0YWwgYW5kIGxpZ2Fu... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
"CONC(=O)C1=CC=CC=C1NC2=CC(=NC=C2Cl)Cl"
] | null |
ord-b94a4cbc1fbd4100843834a92096e35b | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjMyClAIBRINcmVhY3Rpb24gdHlwZRo9MS4zLjQgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gSW9kbyBCdWNod2FsZC1IYXJ0d2lnIGFtaW5hdGlvbhIzCgVhbWluZRIqCigKFwgCGhNDTkMoPU8pQzE9Q0M9Q0M9QzFOEgkSBw15XT86GAEYASAAEjoKC2FyeWwgaGFsaWRlEisKKQoYCAIaFEMxPUMoQyg9Q049QzFDbClDbClJEgkSBw15XT86GAEYASAAEqsBChBtZXRhbCBhbmQgbGlnYW5k... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-36d41d697d8f415b8c7cc3a381080785 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjMzClAIBRINcmVhY3Rpb24gdHlwZRo9MS4zLjQgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gSW9kbyBCdWNod2FsZC1IYXJ0d2lnIGFtaW5hdGlvbhIzCgVhbWluZRIqCigKFwgCGhNDTkMoPU8pQzE9Q0M9Q0M9QzFOEgkSBw1YOTQ8GAEYASAAEjoKC2FyeWwgaGFsaWRlEisKKQoYCAIaFEMxPUMoQyg9Q049QzFDbClDbClJEgkSBw1YOTQ8GAEYASAAEqsBChBtZXRhbCBhbmQgbGlnYW5k... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | null |
ord-2a024728550642b2b2e2724a7387802d | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjM0ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEkMKBWFtaW5lEjoKOAonCAIaI0NDMT1OQz1DKE4xQzJDQ09DQzIpQzM9TkMoPU5DPUMzRilOEgkSBw2pMLY6GAEYASAAEkEKC2FyeWwgaGFsaWRlEjIKMAofCAIaG0MxQ09DQ04xQ0MyPUNDKD1DKEM9QzIpQ2wpRhIJEgcNqTC2OhgB... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-68a2d19644de420ea283722f281ee146 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjM1ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEkMKBWFtaW5lEjoKOAonCAIaI0NDMT1OQz1DKE4xQzJDQ09DQzIpQzM9TkMoPU5DPUMzRilOEgkSBw2ZR347GAEYASAAEkEKC2FyeWwgaGFsaWRlEjIKMAofCAIaG0MxQ09DQ04xQ0MyPUNDKD1DKEM9QzIpQ2wpRhIJEgcNWHOAOxgB... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-9f0febad39ec4abd95b00a68a93da5f3 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjM2ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEi0KBWFtaW5lEiQKIgoRCAIaDUNDMT1DTj1DKFMxKU4SCRIHDQU25zkYARgBIAASVwoLYXJ5bCBoYWxpZGUSSApGCjUIAhoxQ1tDQEBIXShDMT1OQz1DKEM9TjEpRilOQzI9TkMoPU5DKD1OMilDbClOM0NDT0NDMxIJEgcNAySaORgB... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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"C[C@@H](C1=NC=C(C=N1)F)NC2=NC(=NC... | [
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] | null |
ord-80e16f813a4348d09194009ae04f2217 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjM3ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEi4KBWFtaW5lEiUKIwoSCAIaDkNDMT1OTihDPUMxTilDEgkSBw00gLc6GAEYASAAEksKC2FyeWwgaGFsaWRlEjwKOgopCAIaJUNOQyg9TylDMT1DQz1DQz1DMU5DMj1DQyg9TkM9QzJDI04pQ2wSCRIHDf35NjoYARgBIAASqwEKEG1l... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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"CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C#N)Cl",
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] | [
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] | null |
ord-d012fdccb17647d4838efd4e1491311e | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjM5ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEjEKBWFtaW5lEigKJgoVCAIaEUNOMUMoPUNDKD1OMSlPQylOEgkSBw39+TY6GAEYASAAEksKC2FyeWwgaGFsaWRlEjwKOgopCAIaJUNOQyg9TylDMT1DQz1DQz1DMU5DMj1DQyg9TkM9QzJDI04pQ2wSCRIHDf35tjkYARgBIAASqwEK... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-2e4132c3c32149d3a68cd64301eacce5 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjQzClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEi4KBWFtaW5lEiUKIwoSCAIaDkNDMT1OTihDPUMxTilDEgkSBw1sCXk7GAEYASAAElEKC2FyeWwgaGFsaWRlEkIKQAovCAIaK0NOMUNDQzI9QyhDMT1PKUMoPUNDPUMyKU5DMz1DQyg9TkM9QzNDI04pQ2wSCRIHDWwJ+ToYARgBIAAS... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-1d37196fb74e494d823157202193321f | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjQ1ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEi4KBWFtaW5lEiUKIwoSCAIaDkNDMT1OTihDPUMxTilDEgkSBw2sxac5GAEYASAAElEKC2FyeWwgaGFsaWRlEkIKQAovCAIaK0NOMUNDQzI9QyhDMT1PKUMoPUNDPUMyKU5DMz1DQyg9TkM9QzNDI04pQ2wSCRIHDazFJzkYARgBIAAS... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-13885c2618b74db2ba86072bda25f3e4 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjQ2ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEi4KBWFtaW5lEiUKIwoSCAIaDkNDMT1OTihDPUMxTilDEgkSBw1SD1E7GAEYASAAElEKC2FyeWwgaGFsaWRlEkIKQAovCAIaK0NOMUNDQzI9QyhDMT1PKUMoPUNDPUMyKU5DMz1DQyg9TkM9QzNDI04pQ2wSCRIHDRe30ToYARgBIAAS... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-b116c54708694e71a57141a571bf1abd | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjQ5ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEi4KBWFtaW5lEiUKIwoSCAIaDkNDMT1OTihDPUMxTilDEgkSBw0Xt1E7GAEYASAAElEKC2FyeWwgaGFsaWRlEkIKQAovCAIaK0NOMUNDQzI9QyhDMT1PKUMoPUNDPUMyKU5DMz1DQyg9TkM9QzNDI04pQ2wSCRIHDRe30ToYARgBIAAS... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-1aa2de1a9b014f58b717c720b31e4a66 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjUwClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEjoKBWFtaW5lEjEKLwoeCAIaGkMxQ0MxQyg9TylOQzI9TkM9Q0MoPUMyKUNsEgkSBw1pbgU6GAEYASAAEj0KC2FyeWwgaGFsaWRlEi4KLAobCAIaF0MxT0MyPUMoQyg9Q049QzJPMSlDbClOEgkSBw1o6B86GAEYASAAEusBChBtZXRh... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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"C1OC2=C(C(=CN=C2O1)Cl)N",
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] | [
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] | null |
ord-e3d1bf887b8743b5ab0b5887f32d7a64 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjUxClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEjoKBWFtaW5lEjEKLwoeCAIaGkMxQ0MxQyg9TylOQzI9TkM9Q0MoPUMyKUNsEgkSBw0wTKY8GAEYASAAEj0KC2FyeWwgaGFsaWRlEi4KLAobCAIaF0MxT0MyPUMoQyg9Q049QzJPMSlDbClOEgkSBw0wTKY8GAEYASAAEqsBChBtZXRh... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-53e4c550d2a942e0b2b88b16dae21b0b | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjUyClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEjoKBWFtaW5lEjEKLwoeCAIaGkMxQ0MxQyg9TylOQzI9TkM9Q0MoPUMyKUNsEgkSBw2iXYU7GAEYASAAEj0KC2FyeWwgaGFsaWRlEi4KLAobCAIaF0MxT0MyPUMoQyg9Q049QzJPMSlDbClOEgkSBw2iXYU7GAEYASAAEqsBChBtZXRh... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
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"C1OC2=C(C(=CN=C2O1)Cl)N",
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] | [
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] | null |
ord-97d4ec8781d24990b921a4f59e0aac9e | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjU1ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEjoKBWFtaW5lEjEKLwoeCAIaGkMxQ0MxQyg9TylOQzI9TkM9Q0MoPUMyKUNsEgkSBw0EyqY7GAEYASAAEj0KC2FyeWwgaGFsaWRlEi4KLAobCAIaF0MxT0MyPUMoQyg9Q049QzJPMSlDbClOEgkSBw0EyqY7GAEYASAAEqsBChBtZXRh... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | null |
ord-43b38b44db094a5e90893913a2fe3478 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjU2ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEjoKBWFtaW5lEjEKLwoeCAIaGkMxQ0MxQyg9TylOQzI9TkM9Q0MoPUMyKUNsEgkSBw2iXYU7GAEYASAAEj0KC2FyeWwgaGFsaWRlEi4KLAobCAIaF0MxT0MyPUMoQyg9Q049QzJPMSlDbClOEgkSBw2iXYU7GAEYASAAEqsBChBtZXRh... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | null |
ord-69adc3b86d5e4e688ca79adbe7928bc5 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjU4CjAIBRINcmVhY3Rpb24gdHlwZRodMC4wIFtVbmFzc2lnbmVkXSBVbnJlY29nbml6ZWQSKgoFYW1pbmUSIQofCg4IAhoKQ0NOMUNDTkNDMRIJEgcNeSPzOxgBGAEgABJmCgthcnlsIGhhbGlkZRJXClUKRAgCGkBDMUNPQ0NOMUMyPUNDKD1PKUMzPUMoTzIpQyg9Q0M9QzMpQzQ9QzVDKD1DKEM9QzQpSSlDNj1DQz1DQz1DNlM1EgkSBw15I3M7GAEYASAAErUBChBtZXRhbCBhbmQgbGln... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
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] | null |
ord-8dc05311ad5340e693477414d5741a5e | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjYwClAIBRINcmVhY3Rpb24gdHlwZRo9MS4zLjQgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gSW9kbyBCdWNod2FsZC1IYXJ0d2lnIGFtaW5hdGlvbhIqCgVhbWluZRIhCh8KDggCGgpDQ04xQ0NOQ0MxEgkSBw3Sm5s4GAEYASAAEmYKC2FyeWwgaGFsaWRlElcKVQpECAIaQEMxQ09DQ04xQzI9Q0MoPU8pQzM9QyhPMilDKD1DQz1DMylDND1DNUMoPUMoQz1DNClJKUM2PUNDPUNDPUM2UzUS... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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"C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=C5C(=C... | [
"CCN1CCN(CC1)C2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CC6=C5OC(=CC6=O)N7CCOCC7"
] | null |
ord-8b6e9d49ac804667b43344fcaf4ab862 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjYxClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SLgoFYW1pbmUSJQojChIIAhoOQ0MoPU8pTjFDQ05DQzESCRIHDZMYBD4YARgBIAASRQoLYXJ5bCBoYWxpZGUSNgo0CiMIAhofQ09DMT1DKEM9QyhDPUMxKUJyKVtOK10oPU8pW08tXRIJEgcNkxgEPhgBGAEgABKrAQoQbWV0YWwgYW5k... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
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] | [
"CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)OC)[N+](=O)[O-]"
] | null |
ord-7efc5b9774d04fb09dba803fb4f7b480 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjYyClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SLgoFYW1pbmUSJQojChIIAhoOQ0MoPU8pTjFDQ05DQzESCRIHDcDsnj0YARgBIAASRQoLYXJ5bCBoYWxpZGUSNgo0CiMIAhofQ09DMT1DKEM9QyhDPUMxKUJyKVtOK10oPU8pW08tXRIJEgcNwOyePRgBGAEgABKrAQoQbWV0YWwgYW5k... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
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"COC1=C(C=C(C=C1)Br)[N+](=O)[O-]",
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] | [
"CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)OC)[N+](=O)[O-]"
] | null |
ord-56a1dc90e93f4e37a4c4dceba5d45c4e | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjYzClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SLgoFYW1pbmUSJQojChIIAhoOQ0MoPU8pTjFDQ05DQzESCRIHDWiu0zsYARgBIAASRQoLYXJ5bCBoYWxpZGUSNgo0CiMIAhofQ09DMT1DKEM9QyhDPUMxKUJyKVtOK10oPU8pW08tXRIJEgcNaK7TOxgBGAEgABKrAQoQbWV0YWwgYW5k... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"C1COCCO1",
"CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C",
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"CC(=O)N1CCNCC1"
] | [
"CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)OC)[N+](=O)[O-]"
] | null |
ord-05f07a62b42e4c23af01e32b4f5a3985 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjY0ClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SLgoFYW1pbmUSJQojChIIAhoOQ0MoPU8pTjFDQ05DQzESCRIHDWiu0zsYARgBIAASRQoLYXJ5bCBoYWxpZGUSNgo0CiMIAhofQ09DMT1DKEM9QyhDPUMxKUJyKVtOK10oPU8pW08tXRIJEgcNaK7TOxgBGAEgABKrAQoQbWV0YWwgYW5k... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
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"CC(=O)O.CC(=O)O.[Pd]",
"COC1=C(C=C(C=C1)Br)[N+](=O)[O-]",
"CC(=O)N1CCNCC1"
] | [
"CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)OC)[N+](=O)[O-]"
] | null |
ord-48707410a8f646d7ad65813e3cef2505 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjY1ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEi4KBWFtaW5lEiUKIwoSCAIaDkNDMT1OTihDPUMxTilDEgkSBw1SSZ06GAEYASAAEksKC2FyeWwgaGFsaWRlEjwKOgopCAIaJUNPTkMoPU8pQzE9Q0M9Q0M9QzFOQzI9Q0MoPU5DPUMyQ2wpQ2wSCRIHDTP6UToYARgBIAASmwIKEG1l... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"CC(C)(C)[O-].[Na+]",
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"CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C",
"C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]",
"CONC(=O)C1=CC=CC=C1NC2=CC(=NC=C2Cl)Cl",
"CC1=NN(C=... | [
"CC1=NN(C=C1NC2=NC=C(C(=C2)NC3=CC=CC=C3C(=O)NOC)Cl)C"
] | null |
ord-d5a89652aac64eea875d9bd85a60b6b2 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjY2ClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SLAoFYW1pbmUSIwohChAIAhoMQ0MxQ05DQyhOMSlDEgkSBw3/BYI5GAEYASAAElwKC2FyeWwgaGFsaWRlEk0KSwo6CAIaNkNPQzE9QyhDPUNDKD1DMSlCcilOQzI9TkM9QyhDKD1OMilDMz1DTj1DNE4zQz1DQz1DNClDbBIJEgcN/wWC... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"C1COCCO1",
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"CC1CNCC(N1)C"
] | [
"CC1CN(CC(N1)C)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)C4=CN=C5N4C=CC=C5)Cl)OC"
] | null |
ord-7e36385bcc0c400fb6d43f0b2d0257ca | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjY3ClIIBRINcmVhY3Rpb24gdHlwZRo/MS4zLjIgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQ2hsb3JvIEJ1Y2h3YWxkLUhhcnR3aWcgYW1pbmF0aW9uEkIKBWFtaW5lEjkKNwomCAIaIkNDKD1PKU4xQ0NOKENDMSlDMj1DQyg9QyhDPUMyKU4pT0MSCRIHDaa4qjsYARgBIAASXQoLYXJ5bCBoYWxpZGUSTgpMCjsIAho3Q0MxPUNOPUMoTj1DMUMyPUNOKEMzPUNDPUNDPUMzMilTKD1PKSg9... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
"C1COCCO1",
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"CC(=O)O.CC(=O)O.[Pd]",
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"CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)N)OC"
] | [
"CC1=CN=C(N=C1C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)NC5=C(C=C(C=C5)N6CCN(CC6)C(=O)C)OC"
] | null |
ord-f88e9fa13a294cdea3238d7489919aa6 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjcwClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SQwoFYW1pbmUSOgo4CicIAhojQ0MxPU5DPUMoTjFDMkNDT0NDMilDMz1OQyg9TkM9QzNGKU4SCRIHDSDwQDkYARgBIAASPgoLYXJ5bCBoYWxpZGUSLwotChwIAhoYQzFDT0NDTjFDQzI9Q0M9QyhDPUMyKUJyEgkSBw2oqlA5GAEYASAA... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"C(=O)([O-])[O-].[Cs+].[Cs+]",
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"C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]",
"C1COCCN1CC2=CC=C(C=C2)Br",
"CC1=NC=C(N1C2... | [
"CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)NC4=CC=C(C=C4)CN5CCOCC5"
] | null |
ord-d9c01183b125484eaefa04bec0d028ca | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjcxClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SQwoFYW1pbmUSOgo4CicIAhojQ0MxPU5DPUMoTjFDMkNDT0NDMilDMz1OQyg9TkM9QzNGKU4SCRIHDbx0Ez0YARgBIAASPgoLYXJ5bCBoYWxpZGUSLwotChwIAhoYQzFDT0NDTjFDQzI9Q0M9QyhDPUMyKUJyEgkSBw1QjRc9GAEYASAA... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"CCC(C)(C)[O-].[Na+]",
"CC1=CC=CC=C1",
"CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C",
"C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]",
"C1COCCN1CC2=CC=C(C=C2)Br",
"CC1=NC=C(N1C2CCOC... | [
"CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)NC4=CC=C(C=C4)CN5CCOCC5"
] | null |
ord-834b5e1dd58a47728397e6966452dba7 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjcyClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SQwoFYW1pbmUSOgo4CicIAhojQ0MxPU5DPUMoTjFDMkNDT0NDMilDMz1OQyg9TkM9QzNGKU4SCRIHDRKlPT0YARgBIAASPgoLYXJ5bCBoYWxpZGUSLwotChwIAhoYQzFDT0NDTjFDQzI9Q0M9QyhDPUMyKUJyEgkSBw0+6Fk9GAEYASAA... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"CCC(C)(C)[O-].[Na+]",
"CC1=CC=CC=C1",
"CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C",
"C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]",
"C1COCCN1CC2=CC=C(C=C2)Br",
"CC1=NC=C(N1C2CCOC... | [
"CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)NC4=CC=C(C=C4)CN5CCOCC5"
] | null |
ord-dd820c31fef4456fb96fcbe0cfbfed80 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjgwClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SQwoFYW1pbmUSOgo4CicIAhojQ0MxPU5DPUMoTjFDMkNDT0NDMilDMz1OQyg9TkM9QzNGKU4SCRIHDSDwQDkYARgBIAASPgoLYXJ5bCBoYWxpZGUSLwotChwIAhoYQzFDT0NDTjFDQzI9Q0M9QyhDPUMyKUJyEgkSBw0LYEo5GAEYASAA... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"CCC(C)(C)[O-].[Na+]",
"CCCCOC(=O)C",
"CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C",
"C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]",
"C1COCCN1CC2=CC=C(C=C2)Br",
"CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N"
] | [
"CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)NC4=CC=C(C=C4)CN5CCOCC5"
] | null |
ord-cd2546f9579b48aea10fbe2e69f5f598 | ord_dataset-00005539a1e04c809a9a78647bea649c | ChYIARIOcmVhY3Rpb24gaW5kZXgaAjgxClEIBRINcmVhY3Rpb24gdHlwZRo+MS4zLjEgW04tYXJ5bGF0aW9uIHdpdGggQXItWF0gQnJvbW8gQnVjaHdhbGQtSGFydHdpZyBhbWluYXRpb24SQwoFYW1pbmUSOgo4CicIAhojQ0MxPU5DPUMoTjFDMkNDT0NDMilDMz1OQyg9TkM9QzNGKU4SCRIHDfrtazsYARgBIAASPgoLYXJ5bCBoYWxpZGUSLwotChwIAhoYQzFDT0NDTjFDQzI9Q0M9QyhDPUMyKUJyEgkSBw3guXc7GAEYASAA... | 750 AstraZeneca ELN dataset | This dataset includes 750 Buchwald-Hartwig reactions generated from AstraZeneca ELN which is used in yield prediction work: 10.26434/chemrxiv.14589498.v2 | [
"CCC(C)(C)[O-].[Na+]",
"CC1=CC=CC=C1",
"CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C",
"C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]",
"C1COCCN1CC2=CC=C(C=C2)Br",
"CC1=NC=C(N1C2CCOC... | [
"CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)NC4=CC=C(C=C4)CN5CCOCC5"
] | null |
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