Water → Methyl 4-(4-Methoxybenzenesulfonyl)-1-(2-methyl-5-fluorobenzoyl)-2,3,4,5-tetrahydro-1H-[1,4]benzodiazepine-3-carboxylate

HRID 319931Notes

Reaction equation

HRID 319931 reaction equation
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][c:36]1[c:37]([C:38](=[O:39])[Cl:40])[cH:41][c:42]([F:45])[cH:43][cH:44]1.[Cl:46][CH2:47][Cl:48].[NH2:1][c:2]1[c:3]([CH2:4][N:5]([CH:6]([C:7](=[O:8])[O:9][CH3:10])[CH2:11][OH:12])[S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[cH:24][cH:25][cH:26][cH:27]1.[OH2:49]>>[N:1]1([C:38]([c:37]2[c:36]([CH3:35])[cH:44][cH:43][c:42]([F:45])[cH:41]2)=[O:39])[c:2]2[c:3]([cH:24][cH:25][cH:26][cH:27]2)[CH2:4][N:5]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[CH:6]([C:7](=[O:8])[O:9][CH3:10])[CH2:11]1

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 27373835-Fluoro-2-methylbenzoyl chlorideHCID 18612758Methyl [(2-aminobenzyl)-(4-methoxybenzenesulfonyl)amino]-3-hydroxypropionate

Product 1

HCID 18612872Methyl 4-(4-Methoxybenzenesulfonyl)-1-(2-methyl-5-fluorobenzoyl)-2,3,4,5-tetrahydro-1H-[1,4]benzodiazepine-3-carboxylate

Sources & evidence

ORD record
ord-bbd19a77735e4595b32671880b8f7f2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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