Water → 1-(2-Chlorodibenzo[b,f]oxepin-10-yl)-4-methylpiperazine
Reaction equation
[CH3:18][N:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[O:6][c:7]1[c:8]([cH:12][cH:13][cH:14][cH:15]1)[C:9](=[O:11])[CH2:10]2.[OH2:25].[c:26]1([CH3:27])[cH:28][cH:29][c:30]([S:31]([OH:32])(=[O:33])=[O:34])[cH:35][cH:36]1.[c:37]1([CH3:38])[c:39]([CH3:40])[cH:41][cH:42][cH:43][cH:44]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[O:6][c:7]1[c:8]([cH:12][cH:13][cH:14][cH:15]1)[C:9]([N:22]1[CH2:21][CH2:20][N:19]([CH3:18])[CH2:24][CH2:23]1)=[CH:10]2Participants
6
Sources & evidence
- ORD record
- ord-69ee0113079f4815a886706e45275697
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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