Water → HCID 58529438, compound
Reaction equation
[C:36]([CH2:37][CH3:38])(=[O:39])[Cl:40].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]2[cH:11][c:12](-[c:17]3[cH:18][c:19]([CH2:27][CH2:28][CH2:29][N:30]4[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]4)[n:20]4[n:21][cH:22][n:23][c:24]([NH2:26])[c:25]34)[cH:13][cH:14][c:15]2[cH:16]1.[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:41]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]2[cH:11][c:12](-[c:17]3[cH:18][c:19]([CH2:27][CH2:28][CH2:29][N:30]4[CH2:31][CH2:32][N:33]([C:36]([CH2:37][CH3:38])=[O:39])[CH2:34][CH2:35]4)[n:20]4[n:21][cH:22][n:23][c:24]([NH2:26])[c:25]34)[cH:13][cH:14][c:15]2[cH:16]1Participants
5
Sources & evidence
- ORD record
- ord-57d5a13e3d1149fcae4265212db7e4a0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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