Hydrochloric Acid → S-[2-[2-cyclohexylethyl-[[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl]amino]ethyl] ethanethioate
Reaction equation
[C:1]([CH3:2])(=[O:3])[S:4][CH2:5][CH2:6][N:7]([C:8]([NH:9][CH:10]([C:11](=[O:12])[OH:13])[CH3:14])=[O:15])[CH2:16][CH2:17][CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]1.[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH2:60]([Cl:61])[Cl:62].[CH3:24][N:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[CH3:41][N:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[ClH:48].[OH:31][n:32]1[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[C:1]([CH3:2])(=[O:3])[S:4][CH2:5][CH2:6][N:7]([C:8]([NH:9][CH:10]([C:11](=[O:13])[N:28]1[CH2:27][CH2:26][N:25]([CH3:24])[CH2:30][CH2:29]1)[CH3:14])=[O:15])[CH2:16][CH2:17][CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-e343ff6df66e41649de232cafc8c9bd9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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