Water → HCID 70028380, compound
Reaction equation
[CH2:45]([Cl:46])[Cl:47].[CH3:22][N:23]([CH3:24])[CH:25]=[O:26].[CH3:33][S:34][c:35]1[n:36][c:37]([CH3:44])[cH:38][c:39]([S:42][CH3:43])[c:40]1[NH2:41].[Cl:27][C:28]([C:29]([Cl:30])=[O:31])=[O:32].[OH2:48].[c:1]1([C:7]2=[C:12]([CH:13]=[CH:14][C:15](=[O:16])[OH:17])[CH2:11][O:10][c:9]3[c:8]2[cH:21][cH:20][cH:19][cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[c:1]1([C:7]2=[C:12]([CH:13]=[CH:14][C:15](=[O:16])[NH:41][c:40]3[c:35]([S:34][CH3:33])[n:36][c:37]([CH3:44])[cH:38][c:39]3[S:42][CH3:43])[CH2:11][O:10][c:9]3[c:8]2[cH:21][cH:20][cH:19][cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
8
Sources & evidence
- ORD record
- ord-36412fe504c9407da2d64f5947b80afe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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