Acetonitrile → 4-Quinolinecarboxylic acid, 3-(bromomethyl)-2-phenyl-, methyl ester
Reaction equation
[Br:22][N:23]1[C:24](=[O:25])[CH2:26][CH2:27][C:28]1=[O:29].[C:30]([O:31][O:32][C:33](=[O:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)(=[O:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:21])[c:7](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[n:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12.[CH3:48][C:49]#[N:50]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:21][Br:22])[c:7](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[n:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12Participants
5
Sources & evidence
- ORD record
- ord-35403b01697a4010a11b291b17858612
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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