4-[2-Amino-5-(4-bromo-2,6-dimethyl-phenoxy)-4-nitro-anilino]benzonitrile → Benzonitrile, 4-[4-amino-5-[(4-cyanophenyl)amino]-2-nitrophenoxy]-3,5-dimethyl-
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:5])[c:6]([O:7][c:8]2[cH:9][c:10]([NH:11][c:12]3[cH:13][cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19]3)[c:20]([NH2:21])[cH:22][c:23]2[N+:24]([O-:25])=[O:26])[c:27]([CH3:28])[cH:29]1.[C:30](#[N:31])[c:32]1[cH:33][cH:34][c:35]([NH:38][c:39]2[c:40]([N+:59]([O-:60])=[O:61])[cH:41][c:42]([N+:56](=[O:57])[O-:58])[c:43]([O:45][c:46]3[c:47]([CH3:55])[cH:48][c:49]([C:53]#[N:54])[cH:50][c:51]3[CH3:52])[cH:44]2)[cH:36][cH:37]1>>[C:30](#[N:31])[c:32]1[cH:33][cH:34][c:35]([NH:38][c:39]2[c:40]([NH2:59])[cH:41][c:42]([N+:56](=[O:57])[O-:58])[c:43]([O:45][c:46]3[c:47]([CH3:55])[cH:48][c:49]([C:53]#[N:54])[cH:50][c:51]3[CH3:52])[cH:44]2)[cH:36][cH:37]1Participants
3
Sources & evidence
- ORD record
- ord-a022616c2dee46cdbe22bbfc4f09e3de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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