Water → Methyl 1-([1,1'-Biphenyl]-2-carbonyl)-4-(4-methoxybenzenesulfonyl)-2,3,4,5-tetrahydro-1H-[1,4]benzodiazepine-3-carboxylate

HRID 683961Notes

Reaction equation

HRID 683961 reaction equation
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cl:50][CH2:51][Cl:52].[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.[OH2:53].[c:35]1(-[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:36]([C:41](=[O:42])[Cl:43])[cH:37][cH:38][cH:39][cH:40]1>>[N:1]1([C:41]([c:36]2[c:35](-[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[cH:40][cH:39][cH:38][cH:37]2)=[O:42])[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 12563768[1,1'-Biphenyl]-2-carbonyl chlorideHCID 18612758Methyl [(2-aminobenzyl)-(4-methoxybenzenesulfonyl)amino]-3-hydroxypropionate

Product 1

HCID 18612790Methyl 1-([1,1'-Biphenyl]-2-carbonyl)-4-(4-methoxybenzenesulfonyl)-2,3,4,5-tetrahydro-1H-[1,4]benzodiazepine-3-carboxylate

Sources & evidence

ORD record
ord-81256201bff04fa1b2a24fcc80e41bc0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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