Acetic Acid → N-[4-(cyclohexylamino)butyl]-4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenesulfonamide

HRID 136577Notes

Reaction equation

HRID 136577 reaction equation
[C:38]([BH3-:39])#[N:40].[CH3:42][C:43](=[O:44])[OH:45].[CH3:46][OH:47].[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][NH:6][S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][c:13]([CH2:16][N:17]([CH2:18][c:19]2[n:20]([CH3:24])[cH:21][cH:22][n:23]2)[CH2:25][c:26]2[nH:27][cH:28][cH:29][n:30]2)[cH:14][cH:15]1.[Na+:41].[O:31]=[C:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][NH:6][S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][c:13]([CH2:16][N:17]([CH2:18][c:19]2[n:20]([CH3:24])[cH:21][cH:22][n:23]2)[CH2:25][c:26]2[n:27][cH:28][cH:29][nH:30]2)[cH:14][cH:15]1)[CH:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 7967CyclohexanoneHCID 498716Cyano-borohydrideHCID 66941735HCID 66941735, compound

Product 1

HCID 58801913N-[4-(cyclohexylamino)butyl]-4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenesulfonamide

Sources & evidence

ORD record
ord-e08cbd67331642bc8575011fde982335
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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