Water → {(5-Chloro-benzo[b]thiophen-3-yl)-[2-(3,4-difluoro-phenyl)-vinylcarbamoyl]-methyl}-methyl-phosphinic acid ethyl ester

HRID 2137026Notes

Reaction equation

HRID 2137026 reaction equation
[Br:27][CH:28]=[CH:29][c:30]1[cH:31][c:32]([F:37])[c:33]([F:36])[cH:34][cH:35]1.[C:21](=[O:22])([O-:23])[O-:24].[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([CH3:6])[CH:7]([c:8]1[c:9]2[c:10]([s:11][cH:12]1)[cH:13][cH:14][c:15]([Cl:17])[cH:16]2)[C:18]([NH2:19])=[O:20].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cs+:25].[Cs+:26].[Cu:44]([I:45])[I:46].[OH2:47]>>[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([CH3:6])[CH:7]([c:8]1[c:9]2[c:10]([s:11][cH:12]1)[cH:13][cH:14][c:15]([Cl:17])[cH:16]2)[C:18]([NH:19][CH:28]=[CH:29][c:30]1[cH:31][c:32]([F:37])[c:33]([F:36])[cH:34][cH:35]1)=[O:20]

Participants

8

Reactant 7

HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 83717Copper iodideHCID 104967Cesium cation2×HCID 44228969Ethyl (2-amino-1-(5-chlorobenzo[b]thiophen-3-yl)-2-oxoethyl)(methyl)phosphinateHCID 533953134-(2-Bromo-vinyl)-1,2-difluoro-benzene

Product 1

HCID 68526644{(5-Chloro-benzo[b]thiophen-3-yl)-[2-(3,4-difluoro-phenyl)-vinylcarbamoyl]-methyl}-methyl-phosphinic acid ethyl ester

Sources & evidence

ORD record
ord-67f8327322a64cec9b1c73d3fef324e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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