Water → HCID 11600006, compound
Reaction equation
[Br:1][CH2:2][CH2:3][OH:4].[C:48](=[O:49])([O-:50])[O-:51].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH:5]([CH3:6])([CH3:7])[O:8][C:9](=[O:10])[N:11]1[CH:12]([CH2:46][CH3:47])[CH2:13][CH:14]([N:25]([c:26]2[n:27][n:28][nH:29][n:30]2)[CH2:31][c:32]2[cH:33][c:34]([C:42]([F:43])([F:44])[F:45])[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]2)[c:15]2[n:16][c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][cH:19][c:20]21.[Cs+:52].[Cs+:53].[OH2:54]>>[CH2:2]([CH2:3][OH:4])[n:29]1[n:28][n:27][c:26]([N:25]([CH:14]2[CH2:13][CH:12]([CH2:46][CH3:47])[N:11]([C:9]([O:8][CH:5]([CH3:6])[CH3:7])=[O:10])[c:20]3[c:15]2[n:16][c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]3)[CH2:31][c:32]2[cH:33][c:34]([C:42]([F:43])([F:44])[F:45])[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]2)[n:30]1Participants
7
Sources & evidence
- ORD record
- ord-773e057de9a548f4941bfb736d211600
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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