Diisopropylethylamine → 1-(3-(1-tert-butyl-5-(4-methoxyphenyl)-1H-pyrazol-3-yl)propyl)-4-(3,4-dimethylphenyl)piperazine
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH2:18][CH2:19][CH:20]=[O:21])[cH:8][c:9]1-[c:10]1[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1.[CH3:22][c:23]1[cH:24][c:25]([N:30]2[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[cH:26][cH:27][c:28]1[CH3:29].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH2:18][CH2:19][CH2:20][N:33]2[CH2:32][CH2:31][N:30]([c:25]3[cH:24][c:23]([CH3:22])[c:28]([CH3:29])[cH:27][cH:26]3)[CH2:35][CH2:34]2)[cH:8][c:9]1-[c:10]1[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1Participants
4
Sources & evidence
- ORD record
- ord-0bc33767abab43c396a26d4bc724196f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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