Dimethyl Sulfoxide → methyl 2-[[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amino]-3-oxobutanoate

HRID 151981Notes

Reaction equation

HRID 151981 reaction equation
[CH3:14][S:15](=[O:16])[CH3:17].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([cH:45]1)[C:24]([c:38]1[c:39]([F:44])[cH:40][cH:41][cH:42][cH:43]1)=[N:25][CH2:26][C:27]([NH:29][CH:30]([C:31](=[O:32])[O:33][CH3:34])[CH:35]([CH3:36])[OH:37])=[N:28]2.[Cl:53][CH2:54][Cl:55].[F:1][C:2]([F:3])([F:4])[C:5]([O:6][C:7](=[O:8])[C:9]([F:10])([F:11])[F:12])=[O:13]>>[Cl:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([cH:45]1)[C:24]([c:38]1[c:39]([F:44])[cH:40][cH:41][cH:42][cH:43]1)=[N:25][CH2:26][C:27]([NH:29][CH:30]([C:31](=[O:32])[O:33][CH3:34])[C:35]([CH3:36])=[O:37])=[N:28]2

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9845Trifluoroacetic anhydrideHCID 178501563HCID 178501563, compound

Product 1

HCID 178501562methyl 2-[[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amino]-3-oxobutanoate

Sources & evidence

ORD record
ord-be5ccde9ced440aabbbc33026caa45e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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