4-Aminobenzonitrile → (E)-4-(5-ethoxy-2-fluoro-3-isopropoxybenzylideneamino)benzonitrile
Reaction equation
[CH2:1]([O:2][c:3]1[cH:4][c:5]([CH:22]=[N:8][c:9]2[cH:10][cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]2)[cH:6][cH:7][c:17]1[O:18][CH:19]([CH3:20])[CH3:21])[CH3:23].[CH2:24]([CH3:25])[O:26][c:27]1[cH:28][c:29]([O:36][CH:37]([CH3:38])[CH3:39])[c:30]([F:35])[c:31]([CH:32]=[O:33])[cH:34]1.[NH2:40][c:41]1[cH:42][cH:43][c:44]([C:45]#[N:46])[cH:47][cH:48]1>>[N:8]([c:9]1[cH:10][cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]1)=[CH:32][c:31]1[c:30]([F:35])[c:29]([O:36][CH:37]([CH3:38])[CH3:39])[cH:28][c:27]([O:26][CH2:24][CH3:25])[cH:34]1Participants
4
Sources & evidence
- ORD record
- ord-63326b516de54d888d5937d8834de229
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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