Water → HCID 24785365, compound
Reaction equation
[B-:40]([F:41])([F:42])([F:43])[F:44].[CH:15]1([c:20]2[cH:21][cH:22][c:23]([CH2:24][NH:25][CH2:26][CH2:27][c:28]3[cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][cH:32][cH:33]3)[cH:38][cH:39]2)[CH2:16][CH2:17][CH2:18][CH2:19]1.[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:11][CH:12]([CH3:13])[CH3:14])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:11][CH:12]([CH3:13])[CH3:14])[c:6]([C:7](=[O:9])[N:25]([CH2:24][c:23]2[cH:22][cH:21][c:20]([CH:15]3[CH2:16][CH2:17][CH2:18][CH2:19]3)[cH:39][cH:38]2)[CH2:26][CH2:27][c:28]2[cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][cH:32][cH:33]2)[cH:10]1Participants
8
Sources & evidence
- ORD record
- ord-7d836b9ee1fc4d2696478dea09fe87b1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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