Water → HCID 136163781, compound
Reaction equation
[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][C:49]([N:50]([CH3:51])[CH3:52])=[O:53].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][n:11][c:12]3[n:13]2-[c:14]2[c:15]([n:23][cH:24][cH:25][cH:26]2)[NH:16][c:17]2[c:18]-3[cH:19][cH:20][cH:21][cH:22]2)[cH:7][cH:8]1.[NH:27]1[CH2:28][CH2:29][CH:30]([NH:33][C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:31][CH2:32]1.[OH2:54]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][n:11][c:12]3[n:13]2-[c:14]2[c:15]([n:23][cH:24][cH:25][cH:26]2)[NH:16][c:17]2[c:18]-3[cH:19][cH:20][cH:21][cH:22]2)[cH:7][cH:8]1)[N:27]1[CH2:28][CH2:29][CH:30]([NH:33][C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:31][CH2:32]1Participants
6
Sources & evidence
- ORD record
- ord-0d5a67a0cb0a4965b8b563567a2ecca9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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