O-Xylene → 1-(4-Ethylpiperazin-1-yl)-3-[4-(1-ethoxycarbonylpropan-2-yl)phenyl]isoquinoline
Reaction equation
[Br:28][c:29]1[n:30][c:31]([N:39]2[CH2:40][CH2:41][N:42]([CH2:45][CH3:46])[CH2:43][CH2:44]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[cH:38]1.[CH2:1]([Sn:2]([CH2:3][CH2:4][CH2:5][CH3:20])([c:6]1[cH:7][cH:8][c:9]([CH:12]([CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])[CH3:19])[cH:10][cH:11]1)[CH2:21][CH2:22][CH2:23][CH3:24])[CH2:25][CH2:26][CH3:27].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[c:47]1([CH3:48])[c:49]([CH3:50])[cH:51][cH:52][cH:53][cH:54]1>>[c:6]1(-[c:29]2[n:30][c:31]([N:39]3[CH2:40][CH2:41][N:42]([CH2:45][CH3:46])[CH2:43][CH2:44]3)[c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]3[cH:38]2)[cH:7][cH:8][c:9]([CH:12]([CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])[CH3:19])[cH:10][cH:11]1Participants
5
Sources & evidence
- ORD record
- ord-def8a30e9f524120b0d0534346475c70
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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