Water → HCID 22903506, compound
Reaction equation
[CH3:34][C:35](=[O:36])[O:37][C:38](=[O:39])[CH3:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[CH:7]([CH2:30][CH2:31][OH:32])[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[cH:14][n:15][c:16]([NH:19][C:20]([c:21]2[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]2)=[O:28])[cH:17][cH:18]1)=[O:29].[OH2:41].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[CH:7]([CH2:30][CH2:31][O:32][C:35]([CH3:34])=[O:36])[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[cH:14][n:15][c:16]([NH:19][C:20]([c:21]2[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]2)=[O:28])[cH:17][cH:18]1)=[O:29]Participants
5
Sources & evidence
- ORD record
- ord-2aff108637464b1dbf04dd481557b0fa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)