Ethylbenzene → 5-(8-Hydroxy-2-methyl-quinolin-4-yl)-1-methyl-1H-pyrrole-2-carbonitrile
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:13])[n:5][c:6]2[c:7]([OH:12])[cH:8][cH:9][cH:10][c:11]12.[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH2:60]([c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH3:67].[CH3:14][n:15]1[c:16]([C:20]#[N:21])[cH:17][cH:18][cH:19]1.[CH3:22][c:23]1[cH:24][c:25](-[c:26]2[n:27]([CH3:28])[cH:29][cH:30][n:31]2)[c:32]2[c:33]([c:34]([OH:35])[cH:36][cH:37][cH:38]2)[n:39]1.[CH3:41][CH:42]([N-:43][CH:44]([CH3:45])[CH3:46])[CH3:47].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[Li+:40]>>[c:2]1(-[c:19]2[n:15]([CH3:14])[c:16]([C:20]#[N:21])[cH:17][cH:18]2)[cH:3][c:4]([CH3:13])[n:5][c:6]2[c:7]([OH:12])[cH:8][cH:9][cH:10][c:11]12Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-a723801ddff343d1b687266f26935ff3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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