Water → HCID 21939768, compound
Reaction equation
[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:24][N:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][n:31]1)[CH3:32].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[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:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:59].[cH:33]1[c:34](-[c:43]2[n:44][o:45][c:46]([CH2:48][CH2:49][C:50](=[O:51])[OH:52])[n:47]2)[cH:35][cH:36][c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]12>>[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:50]([CH2:49][CH2:48][c:46]1[o:45][n:44][c:43](-[c:34]2[cH:33][c:42]3[c:37]([cH:36][cH:35]2)[cH:38][cH:39][cH:40][cH:41]3)[n:47]1)=[O:51]Participants
8
Sources & evidence
- ORD record
- ord-3633827e7cb549b38055f6b5be31ad27
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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