Water → HCID 86592879, compound
Reaction equation
[C:34](=[O:35])([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[NH:41][CH:42]([CH:43]([CH3:44])[CH3:45])[C:46](=[O:47])[OH:48].[CH3:1][C:2]([N:3]([CH3:4])[CH3:5])=[O:6].[OH2:59].[OH2:60].[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1.[OH:7][CH2:8][CH2:9][O:10][NH:11][C:12](=[O:13])[c:14]1[cH:15][c:16]2[c:17]([n:18][cH:19][n:20]2[CH3:21])[c:22]([F:33])[c:23]1[NH:24][c:25]1[c:26]([Cl:32])[cH:27][c:28]([Br:31])[cH:29][cH:30]1>>[O:7]([CH2:8][CH2:9][O:10][NH:11][C:12](=[O:13])[c:14]1[cH:15][c:16]2[c:17]([n:18][cH:19][n:20]2[CH3:21])[c:22]([F:33])[c:23]1[NH:24][c:25]1[c:26]([Cl:32])[cH:27][c:28]([Br:31])[cH:29][cH:30]1)[C:46]([CH:42]([NH:41][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH:43]([CH3:44])[CH3:45])=[O:47]Participants
6
Sources & evidence
- ORD record
- ord-b39423e505e74970bd3e0867b1f73d8f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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