Toluene → 2-N,2-N-dibenzyl-4-N-(2-methylpropyl)-3-nitroquinoline-2,4-diamine
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[CH2:49]([Cl:50])[Cl:51].[CH2:52]([Cl:53])[Cl:54].[CH3:16][CH:17]([CH2:18][NH:19][c:20]1[c:21]([N+:38](=[O:39])[O-:40])[c:22]([O:30][S:31]([C:32]([F:33])([F:34])[F:35])(=[O:36])=[O:37])[n:23][c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]12)[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[c:22]1[c:21]([N+:38](=[O:39])[O-:40])[c:20]([NH:19][CH2:18][CH:17]([CH3:16])[CH3:41])[c:29]2[c:24]([n:23]1)[cH:25][cH:26][cH:27][cH:28]2Participants
6
Sources & evidence
- ORD record
- ord-6dd424b5f1ef4cf9ac0b47c3cb3eed54
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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