O-Xylene → 1-(4-Ethylpiperazin-1-yl)-3-[4-(3-oxobutyl)phenyl]isoquinoline
Reaction equation
[Br:25][c:26]1[n:27][c:28]([N:36]2[CH2:37][CH2:38][N:39]([CH2:42][CH3:43])[CH2:40][CH2:41]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[cH:35]1.[CH2:1]([Sn:2]([CH2:3][CH2:4][CH2:5][CH3:17])([c:6]1[cH:7][cH:8][c:9]([CH2:12][CH2:13][C:14]([CH3:15])=[O:16])[cH:10][cH:11]1)[CH2:18][CH2:19][CH2:20][CH3:21])[CH2:22][CH2:23][CH3:24].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[c:44]1([CH3:45])[c:46]([CH3:47])[cH:48][cH:49][cH:50][cH:51]1>>[c:6]1(-[c:26]2[n:27][c:28]([N:36]3[CH2:37][CH2:38][N:39]([CH2:42][CH3:43])[CH2:40][CH2:41]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]3[cH:35]2)[cH:7][cH:8][c:9]([CH2:12][CH2:13][C:14]([CH3:15])=[O:16])[cH:10][cH:11]1Participants
5
Sources & evidence
- ORD record
- ord-fee7009b007b420bb37ee1a2808cb2a1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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