Benzene → HCID 178425713, compound
Reaction equation
[CH2:37]([N+:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[CH2:54]([N+:55]([CH2:56][CH2:57][CH2:58][CH3:59])([CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH3:70].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[N+:21](=[O:22])([O-:23])[c:24]1[cH:25][c:26]([CH2:27][Br:28])[cH:29][cH:30][cH:31]1.[Na+:72].[OH-:71].[OH:1][CH2:2][CH:3]([CH2:4][O:5][c:6]1[cH:7][c:8]([CH3:12])[cH:9][cH:10][cH:11]1)[NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20].[S:32]([O-:33])([O-:34])(=[O:35])=[O:36].[cH:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[O:1]([CH2:2][CH:3]([CH2:4][O:5][c:6]1[cH:7][c:8]([CH3:12])[cH:9][cH:10][cH:11]1)[NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:27][c:26]1[cH:25][c:24]([N+:21](=[O:22])[O-:23])[cH:31][cH:30][cH:29]1Participants
9
Sources & evidence
- ORD record
- ord-d37dcd3871424623a76da499edb1f5cf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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