Water → 1,3,5-trimethyl-N-(1,1,3-trimethylindane-4-yl)pyrazole-4-carbothioamide
Reaction equation
[CH3:1][n:2]1[n:3][c:4]([CH3:23])[c:5]([C:8](=[O:9])[NH:10][c:11]2[c:12]3[c:16]([cH:17][cH:18][cH:19]2)[C:15]([CH3:20])([CH3:21])[CH2:14][CH:13]3[CH3:22])[c:6]1[CH3:7].[CH3:38][N:39]([P:40]([N:41]([CH3:42])[CH3:43])([N:44]([CH3:45])[CH3:46])=[O:47])[CH3:48].[OH2:49].[P:24]12(=[S:25])[S:26][P:27]3(=[S:37])[S:28][P:29](=[S:35])([S:30][P:31](=[S:34])([S:32]3)[S:33]1)[S:36]2>>[CH3:1][n:2]1[n:3][c:4]([CH3:23])[c:5]([C:8]([NH:10][c:11]2[c:12]3[c:16]([cH:17][cH:18][cH:19]2)[C:15]([CH3:20])([CH3:21])[CH2:14][CH:13]3[CH3:22])=[S:25])[c:6]1[CH3:7]Participants
5
Sources & evidence
- ORD record
- ord-4490dcec8a514a3e9b14e1ed5004989f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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