Triethylamine → 2-(2-Methanesulfonylethyl)-5-[(4-(2-phenylbenzoylamino)-benzenesulfonyl)]-1,5-benzothiazepine
Reaction equation
[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[OH:6][CH2:7][CH2:8][CH:9]1[S:10][c:11]2[c:12]([cH:40][cH:41][cH:42][cH:43]2)[N:13]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([NH:25][C:26]([c:27]3[c:28](-[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:29][cH:30][cH:31][cH:32]3)=[O:39])[cH:23][cH:24]2)[CH:14]=[CH:15]1>>[CH3:1][S:2](=[O:4])(=[O:5])[CH2:7][CH2:8][CH:9]1[S:10][c:11]2[c:12]([cH:40][cH:41][cH:42][cH:43]2)[N:13]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([NH:25][C:26]([c:27]3[c:28](-[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:29][cH:30][cH:31][cH:32]3)=[O:39])[cH:23][cH:24]2)[CH:14]=[CH:15]1Participants
4
Sources & evidence
- ORD record
- ord-e6d277e921a4421887231f2f66197866
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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