Benzene → 2-[6-chloro-9-(3-methylbut-3-en-1-yn-1-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]isophthalonitrile
Reaction equation
[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[cH:6][c:7]([C:29]#[C:30][C:31]([CH3:32])([CH3:33])[OH:34])[cH:8][cH:9][c:10]3[c:11]3[c:12]([nH:13][c:14](-[c:16]4[c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22][c:23]4[C:24]#[N:25])[n:15]3)[c:26]2[cH:27][cH:28]1.[cH:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[cH:6][c:7]([C:29]#[C:30][C:31](=[CH2:32])[CH3:33])[cH:8][cH:9][c:10]3[c:11]3[c:12]([n:13][c:14](-[c:16]4[c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22][c:23]4[C:24]#[N:25])[nH:15]3)[c:26]2[cH:27][cH:28]1Participants
4
Sources & evidence
- ORD record
- ord-cc2e54029ca948e28c4b3e1b21a6c719
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)