Water → 1-[5-t-butyl-2-(3-oxo-indan-5-yl)-2H-pyrazol-3-yl]-3-(2,3-dichlorophenyl)urea
Reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[Cl:21][c:22]1[c:23]([Cl:31])[c:24]([N:28]=[C:29]=[O:30])[cH:25][cH:26][cH:27]1.[NH2:1][c:2]1[cH:3][c:4]([C:17]([CH3:18])([CH3:19])[CH3:20])[n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]2[c:14]([cH:15]1)[C:13](=[O:16])[CH2:12][CH2:11]2.[OH2:32]>>[NH:1]([c:2]1[cH:3][c:4]([C:17]([CH3:18])([CH3:19])[CH3:20])[n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]2[c:14]([cH:15]1)[C:13](=[O:16])[CH2:12][CH2:11]2)[C:29]([NH:28][c:24]1[c:23]([Cl:31])[c:22]([Cl:21])[cH:27][cH:26][cH:25]1)=[O:30]Participants
5
Sources & evidence
- ORD record
- ord-561b86e8136a4d87bbe3f51ea61fd505
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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