Water → HCID 86603091, compound
Reaction equation
[B-:14]([F:15])([F:16])([F:17])[F:18].[C:45]([CH3:46])([CH3:47])([CH3:48])[c:49]1[cH:50][cH:51][c:52]([CH2:53][NH:54][CH2:55][CH2:56][c:57]2[c:58]([F:67])[cH:59][cH:60][c:61]([C:63]([F:64])([F:65])[F:66])[cH:62]2)[cH:68][cH:69]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[OH:13])[cH:10]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[n:19]1([O:20][C:21]([N:22]([CH3:23])[CH3:24])=[N+:25]([CH3:26])[CH3:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[c:9]([C:11](=[O:13])[N:54]([CH2:53][c:52]2[cH:51][cH:50][c:49]([C:45]([CH3:46])([CH3:47])[CH3:48])[cH:69][cH:68]2)[CH2:55][CH2:56][c:57]2[c:58]([F:67])[cH:59][cH:60][c:61]([C:63]([F:64])([F:65])[F:66])[cH:62]2)[cH:10]1Participants
8
Sources & evidence
- ORD record
- ord-96a9ff3f899244b2a323e0816bfb731c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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