1,4-Dimercapto-2,3-butanediol → 1-(1-Butyryl-piperidin-4-yl)-1-(trans-4-methyl-cyclohexyl)-3-[5-(2-morpholin-4-yl-ethylsulfanyl)-thiazol-2-yl]-urea
Reaction equation
[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([N:12]([C:13](=[O:14])[NH:15][c:16]2[s:17][c:18]([S:21][C:22]#[N:23])[cH:19][n:20]2)[CH:24]2[CH2:25][CH2:26][CH:27]([CH3:30])[CH2:28][CH2:29]2)[CH2:10][CH2:11]1.[Cl:39][CH2:40][CH2:41][N:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[SH:31][CH2:32][CH:33]([CH:34]([CH2:35][SH:36])[OH:37])[OH:38]>>[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([N:12]([C:13](=[O:14])[NH:15][c:16]2[s:17][c:18]([S:21][CH2:40][CH2:41][N:42]3[CH2:43][CH2:44][O:45][CH2:46][CH2:47]3)[cH:19][n:20]2)[CH:24]2[CH2:25][CH2:26][CH:27]([CH3:30])[CH2:28][CH2:29]2)[CH2:10][CH2:11]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-8b939871278847f795dccce394d6bfb6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…