Water → HCID 22721036, compound
Reaction equation
[CH2:52]([Cl:53])[Cl:54].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]=[C:10]([c:23]3[c:24]([O:29][CH:30]([CH3:31])[CH3:32])[cH:25][cH:26][cH:27][cH:28]3)[N:11]([C:20](=[O:21])[Cl:22])[CH:12]2[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1.[N:40]1([CH:45]2[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2)[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:51]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]=[C:10]([c:23]3[c:24]([O:29][CH:30]([CH3:31])[CH3:32])[cH:25][cH:26][cH:27][cH:28]3)[N:11]([C:20](=[O:21])[N:48]3[CH2:47][CH2:46][CH:45]([N:40]4[CH2:41][CH2:42][CH2:43][CH2:44]4)[CH2:50][CH2:49]3)[CH:12]2[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-c7df2071ade4438b873b6b9124af2536
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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