Acetone → 7-[1-(Pyridin-4-yl)piperidin-4-ylmethoxy]-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide
Reaction equation
[C:5]([Cl:6])(=[O:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[CH2:42]([Cl:43])[Cl:44].[CH3:38][C:39](=[O:40])[CH3:41].[N-:1]=[C:2]=[S:3].[NH4+:4].[n:14]1[cH:15][cH:16][c:17]([N:20]2[CH2:21][CH2:22][CH:23]([CH2:26][O:27][c:28]3[cH:29][cH:30][c:31]4[c:36]([cH:37]3)[CH2:35][NH:34][CH2:33][CH2:32]4)[CH2:24][CH2:25]2)[cH:18][cH:19]1>>[NH2:1][C:2](=[S:3])[N:34]1[CH2:33][CH2:32][c:31]2[cH:30][cH:29][c:28]([O:27][CH2:26][CH:23]3[CH2:22][CH2:21][N:20]([c:17]4[cH:16][cH:15][n:14][cH:19][cH:18]4)[CH2:25][CH2:24]3)[cH:37][c:36]2[CH2:35]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-51d550ed562142d4b8207a33841d9ed3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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