Water → HCID 21939891, compound
Reaction equation
[CH3:27][N:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][n:34]1)[CH3:35].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[N+:36](=[O:37])([O-:38])[c:39]1[cH:40][cH:41][c:42]([CH2:45][C:46](=[O:47])[OH:48])[cH:43][cH:44]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][N:14]([CH3:15])[CH3:16])[cH:6][cH:7]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:55].[OH:17][n:18]1[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[n:25][n:26]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][N:14]([CH3:15])[CH3:16])[cH:6][cH:7]1)[C:46]([CH2:45][c:42]1[cH:41][cH:40][c:39]([N+:36](=[O:37])[O-:38])[cH:44][cH:43]1)=[O:47]Participants
8
Sources & evidence
- ORD record
- ord-6b8a9aa0b0664fa7bd1b95f49781a924
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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