Chloride → 1-[4-[2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Reaction equation
[CH3:45][S:46]([CH3:47])=[O:48].[Cl-:1].[Cl:2][c:3]1[cH:4][c:5]2[c:14]([cH:15][cH:16]1)[S:13][c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[N:6]2[CH2:17][CH2:18][CH2:19][N:20]1[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][Cl:28])[CH2:24][CH2:25]1.[Na+:51].[OH-:50].[OH2:49].[OH:29][c:30]1[cH:31][cH:32][c:33]([O:34][CH2:35][CH:36]([CH2:37][NH:38][CH:39]([CH3:40])[CH3:41])[OH:42])[cH:43][cH:44]1>>[Cl:2][c:3]1[cH:4][c:5]2[c:14]([cH:15][cH:16]1)[S:13][c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[N:6]2[CH2:17][CH2:18][CH2:19][N:20]1[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][O:29][c:30]2[cH:31][cH:32][c:33]([O:34][CH2:35][CH:36]([CH2:37][NH:38][CH:39]([CH3:40])[CH3:41])[OH:42])[cH:43][cH:44]2)[CH2:24][CH2:25]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-46657e1782384f52b14fb5b3e089b059
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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