Water → HCID 67166949, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:15])[OH:16])[CH2:10][O:11][CH2:12][CH2:13]1.[CH3:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cl:17][c:18]1[cH:19][c:20]2[c:21]3[cH:22][cH:23][n:24][cH:25][c:26]3[nH:27][c:28]2[c:29]([NH2:31])[cH:30]1.[OH2:55].[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:16])[NH:31][c:29]2[c:28]3[c:20]([cH:19][c:18]([Cl:17])[cH:30]2)[c:21]2[cH:22][cH:23][n:24][cH:25][c:26]2[nH:27]3)[CH2:10][O:11][CH2:12][CH2:13]1Participants
7
Sources & evidence
- ORD record
- ord-44bd795fb6a74851b173f2f01b070222
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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