Acetic Acid → 1,1-Dicyclohexyl-3-[5-(4-propionyl-piperazin-1-ylmethyl)-thiazol-2-yl]-urea
Reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:48][C:49](=[O:50])[OH:51].[CH:1]1([N:7]([C:8](=[O:9])[NH:10][c:11]2[s:12][c:13]([CH:16]=[O:17])[cH:14][n:15]2)[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[N:24]1([C:30]([CH2:31][CH3:32])=[O:33])[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[Na+:47]>>[CH:1]1([N:7]([C:8](=[O:9])[NH:10][c:11]2[s:12][c:13]([CH2:16][N:27]3[CH2:26][CH2:25][N:24]([C:30]([CH2:31][CH3:32])=[O:33])[CH2:29][CH2:28]3)[cH:14][n:15]2)[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
6
Sources & evidence
- ORD record
- ord-032fcecdd4e440b0a078a34b9ee97d78
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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