Acetic Acid → 1-Cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)-4-thiazol-2-ylphenyl]piperazine
Reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH3:1][C:2]1([CH3:27])[CH2:3][CH:4]([c:10]2[c:11]([N:21]3[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]3)[cH:12][cH:13][c:14](-[c:16]3[s:17][cH:18][cH:19][n:20]3)[cH:15]2)[CH2:5][C:6]([CH3:8])([CH3:9])[CH2:7]1.[CH3:47][C:48](=[O:49])[OH:50].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH:28]1([CH:31]=[O:32])[CH2:29][CH2:30]1.[Na+:46].[Na+:51].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH2:62].[OH:52][C:53](=[O:54])[O-:55]>>[CH3:1][C:2]1([CH3:27])[CH2:3][CH:4]([c:10]2[c:11]([N:21]3[CH2:22][CH2:23][N:24]([CH2:31][CH:28]4[CH2:29][CH2:30]4)[CH2:25][CH2:26]3)[cH:12][cH:13][c:14](-[c:16]3[s:17][cH:18][cH:19][n:20]3)[cH:15]2)[CH2:5][C:6]([CH3:8])([CH3:9])[CH2:7]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-f33ac4206b4b418a8915ed39bbe585c6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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