O-Xylene → 1-(4-Ethylpiperazin-1-yl)-3-(2-ethoxycarbonylindan-5-yl)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]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][c:8]2[cH:9][cH:10][c:11]([Sn:15]([CH2:16][CH2:17][CH2:18][CH3:19])([CH2:20][CH2:21][CH2:22][CH3:23])[CH2:24][CH2:25][CH2:26][CH3:27])[cH:12][c:13]2[CH2:14]1.[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>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][c:8]2[cH:9][cH:10][c:11](-[c:29]3[n:30][c:31]([N:39]4[CH2:40][CH2:41][N:42]([CH2:45][CH3:46])[CH2:43][CH2:44]4)[c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]4[cH:38]3)[cH:12][c:13]2[CH2:14]1Participants
5
Sources & evidence
- ORD record
- ord-1e3c938ce02349e991169b3816f052b8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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