Water → HCID 178424747, compound
Reaction equation
[B-:26]([F:27])([F:28])([F:29])[F:30].[CH3:1][c:2]1[s:3][c:4](-[c:10]2[cH:11][c:12]([CH3:16])[cH:13][cH:14][cH:15]2)[c:5]([C:7](=[O:8])[OH:9])[n:6]1.[CH3:48][CH:49]1[CH2:50][CH:51]2[CH2:52][NH:53][CH:54]([CH2:57][NH:58][C:59]([C:60]([F:61])([F:62])[F:63])=[O:64])[CH:55]2[CH2:56]1.[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[CH3:1][c:2]1[s:3][c:4](-[c:10]2[cH:11][c:12]([CH3:16])[cH:13][cH:14][cH:15]2)[c:5]([C:7](=[O:9])[N:53]2[CH2:52][CH:51]3[CH2:50][CH:49]([CH3:48])[CH2:56][CH:55]3[CH:54]2[CH2:57][NH:58][C:59]([C:60]([F:61])([F:62])[F:63])=[O:64])[n:6]1Participants
8
Sources & evidence
- ORD record
- ord-8277e33e5df14b90ab7811aa04bbd1af
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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