Sodium ion → 1-Carbethoxy-4-(8-chloro-10,11-dihydro-2-methyl-dibenzo[b,f]-thiepin-10-yl)piperazine
Reaction equation
[BH4-:29].[C:1](=[O:2])([O:3][CH2:4][CH3:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]2=[CH:13][c:14]3[c:15]([cH:24][cH:25][c:26]([CH3:28])[cH:27]3)[S:16][c:17]3[c:18]2[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[CH2:10][CH2:11]1.[CH3:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[Na+:30].[OH:31][C:32]([C:33](=[O:34])[OH:35])=[O:36]>>[C:1](=[O:2])([O:3][CH2:4][CH3:5])[N:6]1[CH2:7][CH2:8][N:9]([CH:12]2[CH2:13][c:14]3[c:15]([cH:24][cH:25][c:26]([CH3:28])[cH:27]3)[S:16][c:17]3[c:18]2[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[CH2:10][CH2:11]1Participants
6
Sources & evidence
- ORD record
- ord-b71039aacbb743359f935a7048e5de9f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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