Benzene → benzyl N-[2-[8-chloro-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methylcarbamate

HRID 1226766Notes

Reaction equation

HRID 1226766 reaction equation
[CH2:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[O:41][C:42](=[O:43])[Cl:44].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:29][cH:30][c:31]([Cl:33])[cH:32]3)[N:13]([CH2:18][CH2:19][N:20]([CH3:21])[CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1.[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:29][cH:30][c:31]([Cl:33])[cH:32]3)[N:13]([CH2:18][CH2:19][N:20]([CH3:21])[C:42]([O:41][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)=[O:43])[C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1

Participants

4

Reactant 3

HCID 241BenzeneHCID 10387Benzyl chloroformateHCID 136040045-[2-[Benzyl(methyl)amino]ethyl]-8-chloro-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Product 1

HCID 13604007benzyl N-[2-[8-chloro-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methylcarbamate

Sources & evidence

ORD record
ord-23dcfb4ff65a4d9aaf65552989ba26d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…