Pyridine → 1-[3-t-butyl-1-(1-thioxo-1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:11]2[cH:12][cH:13][c:14]3[c:19]([cH:20]2)[C:18](=[S:21])[NH:17][CH2:16][CH2:15]3)[c:8]([NH2:10])[cH:9]1.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[Cl:22][c:23]1[c:24]([N:30]=[C:31]=[O:32])[cH:25][cH:26][cH:27][c:28]1[Cl:29].[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:11]2[cH:12][cH:13][c:14]3[c:19]([cH:20]2)[C:18](=[S:21])[NH:17][CH2:16][CH2:15]3)[c:8]([NH:10][C:31]([NH:30][c:24]2[c:23]([Cl:22])[c:28]([Cl:29])[cH:27][cH:26][cH:25]2)=[O:32])[cH:9]1Participants
5
Sources & evidence
- ORD record
- ord-2f82e75fdbec4fa29125d5cfca556098
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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