Chloride → Trans-3-(4-{2-[3-cyclohexyl-3-(4-methyl-cyclohexyl)-ureido]-thiazol-5-ylmethyl}-piperazine-1-sulfonyl)-propionic acid methyl ester
Reaction equation
[CH3:25][O:26][C:27](=[O:28])[CH2:29][CH2:30][S:31](=[O:32])(=[O:33])[N:34]1[CH2:35][CH2:36][NH2+:37][CH2:38][CH2:39]1.[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][CH:21]([CH3:24])[CH2:22][CH2:23]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:40]>>[CH:1]1([N:7]([C:8](=[O:9])[NH:10][c:11]2[s:12][c:13]([CH2:16][N:37]3[CH2:36][CH2:35][N:34]([S:31]([CH2:30][CH2:29][C:27]([O:26][CH3:25])=[O:28])(=[O:32])=[O:33])[CH2:39][CH2:38]3)[cH:14][n:15]2)[CH:18]2[CH2:19][CH2:20][CH:21]([CH3:24])[CH2:22][CH2:23]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
4
Sources & evidence
- ORD record
- ord-f98f4c22ea5746b690a3a5af5fd1bf50
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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