Acetic Acid → 6-(4-Chloro-phenyl)-2-(4-pyrrolidin-1-ylmethyl-phenylethynyl)-quinoline
Reaction equation
[CH2:39]1[CH2:40][CH2:41][NH:42][CH2:43]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:56][C:57](=[O:58])[OH:59].[Cl:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][c:21]3[cH:22][cH:23][c:24]([C:29]#[C:30][c:31]4[cH:32][cH:33][c:34]([CH:35]=[O:36])[cH:37][cH:38]4)[n:25][c:26]3[cH:27][cH:28]2)[cH:17][cH:18]1.[K+:44].[K+:45].[O-:46][C:47]([O-:48])=[O:49].[OH2:55].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[Cl:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][c:21]3[cH:22][cH:23][c:24]([C:29]#[C:30][c:31]4[cH:32][cH:33][c:34]([CH2:35][N:42]5[CH2:41][CH2:40][CH2:39][CH2:43]5)[cH:37][cH:38]4)[n:25][c:26]3[cH:27][cH:28]2)[cH:17][cH:18]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-252dc207cead4d97a2bedfb90c13caef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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