Acetic Acid → N-[4-[cyclohexyl(methyl)amino]butyl]-4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenesulfonamide
Reaction equation
[C:39]([BH3-:40])#[N:41].[CH2:37]=[O:38].[CH3:45][OH:46].[CH3:47][C:48](=[O:49])[OH:50].[CH:1]1([NH:7][CH2:8][CH2:9][CH2:10][CH2:11][NH:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([CH2:22][N:23]([CH2:24][c:25]3[n:26]([CH3:30])[cH:27][cH:28][n:29]3)[CH2:31][c:32]3[nH:33][cH:34][cH:35][n:36]3)[cH:20][cH:21]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:42].[Na+:44].[OH-:43]>>[CH:1]1([N:7]([CH2:8][CH2:9][CH2:10][CH2:11][NH:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([CH2:22][N:23]([CH2:24][c:25]3[n:26]([CH3:30])[cH:27][cH:28][n:29]3)[CH2:31][c:32]3[nH:33][cH:34][cH:35][n:36]3)[cH:20][cH:21]2)[CH3:39])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-a70de1ab71284a1e9184988a03b0b583
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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