Water → HCID 178447089, compound
Reaction equation
[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([NH:14][CH:15]([CH2:16][N:17]1[C:18]([CH3:31])([CH3:32])[CH2:19][N:20]([c:24]2[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]2)[C:21](=[O:23])[CH2:22]1)[CH:33]1[O:34][C:35](=[O:40])[CH:36]([CH2:38][CH3:39])[CH2:37]1)=[O:41].[CH3:42][C:43]([CH2:44][NH2:45])([CH3:46])[CH3:47].[OH2:48].[OH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][n:7]1>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([NH:14][CH:15]([CH2:16][N:17]1[C:18]([CH3:31])([CH3:32])[CH2:19][N:20]([c:24]2[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]2)[C:21](=[O:23])[CH2:22]1)[CH:33]([OH:34])[CH2:37][CH:36]([C:35](=[O:40])[NH:45][CH2:44][C:43]([CH3:42])([CH3:46])[CH3:47])[CH2:38][CH3:39])=[O:41]Participants
5
Sources & evidence
- ORD record
- ord-b7e54f8b79e4470ba4d13dd6e76bf00a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
- DOI