Water → HCID 67103715, compound
Reaction equation
[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[NH:23][CH2:24][CH2:25][CH2:26][CH:27]([C:28](=[O:29])[OH:30])[NH:31][C:32](=[O:33])[O:34][CH2:35][CH:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2-[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]21.[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:14])[cH:6][c:7]([C:8](=[O:9])[O:10][CH3:11])[cH:12][cH:13]1)=[O:15].[OH2:60].[P:49]([Cl:50])([Cl:51])([Cl:52])=[O:53].[cH:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:14][C:28]([CH:27]([CH2:26][CH2:25][CH2:24][NH:23][C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[NH:31][C:32](=[O:33])[O:34][CH2:35][CH:36]2[c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]3-[c:43]3[cH:44][cH:45][cH:46][cH:47][c:48]32)=[O:29])[cH:6][c:7]([C:8](=[O:9])[O:10][CH3:11])[cH:12][cH:13]1)=[O:15]Participants
6
Sources & evidence
- ORD record
- ord-8a06ea76eb1b4936a6d8df0f4bb596f8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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