Water → HCID 11663919, compound
Reaction equation
[CH3:42][B:43]([OH:44])[OH:45].[CH:4]([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH:11]([CH2:40][CH3:41])[CH2:12][CH:13]([N:21]([CH2:22][c:23]2[cH:24][c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]2)[C:37]([CH3:38])=[O:39])[c:14]2[n:15][c:16]([Br:20])[cH:17][cH:18][c:19]21.[Cl:1][CH2:2][Cl:3].[Cs+:47].[F-:46].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:54]>>[CH:4]([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH:11]([CH2:40][CH3:41])[CH2:12][CH:13]([N:21]([CH2:22][c:23]2[cH:24][c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]2)[C:37]([CH3:38])=[O:39])[c:14]2[n:15][c:16]([CH3:42])[cH:17][cH:18][c:19]21Participants
8
Sources & evidence
- ORD record
- ord-c37b73734c0545a7b759f3320d061c62
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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