Ammonia → 1-[1-(1-amino-3,4-dihydroisoquinolin-7-yl)-3-t-butyl-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:22]2[cH:23][cH:24][c:25]3[c:30]([cH:31]2)[C:29](=[S:32])[NH:28][CH2:27][CH2:26]3)[c:8]([NH:10][C:11](=[O:12])[NH:13][c:14]2[c:15]([Cl:21])[c:16]([Cl:20])[cH:17][cH:18][cH:19]2)[cH:9]1.[NH3:34].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[OH2:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:22]2[cH:23][cH:24][c:25]3[c:30]([cH:31]2)[C:29]([NH2:34])=[N:28][CH2:27][CH2:26]3)[c:8]([NH:10][C:11](=[O:12])[NH:13][c:14]2[c:15]([Cl:21])[c:16]([Cl:20])[cH:17][cH:18][cH:19]2)[cH:9]1Participants
5
Sources & evidence
- ORD record
- ord-722f4444d0d64ff8b11901c562ed02dd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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