Acetic Acid → N-(4-dipropylamino-butyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-N-methyl-benzenesulfonamide

HRID 107491

Reaction equation

HRID 107491 reaction equation
[C:39]([BH3-:40])#[N:41].[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][N:9]([S:10](=[O:11])(=[O:12])[c:13]1[cH:14][cH:15][c:16]([CH2:19][NH:20][CH2:21][c:22]2[nH:23][cH:24][cH:25][n:26]2)[cH:17][cH:18]1)[CH3:27])[CH2:28][CH2:29][CH3:30].[CH3:31][n:32]1[c:33]([CH:37]=[O:38])[n:34][cH:35][cH:36]1.[CH3:43][C:44](=[O:45])[OH:46].[CH3:47][OH:48].[Na+:42]>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][N:9]([S:10](=[O:11])(=[O:12])[c:13]1[cH:14][cH:15][c:16]([CH2:19][N:20]([CH2:21][c:22]2[n:23][cH:24][cH:25][nH:26]2)[CH2:37][c:33]2[n:32]([CH3:31])[cH:36][cH:35][n:34]2)[cH:17][cH:18]1)[CH3:27])[CH2:28][CH2:29][CH3:30]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 1395751-Methyl-2-imidazolecarboxaldehydeHCID 498716Cyano-borohydrideHCID 21084503HCID 21084503, compound

Product 1

HCID 11950614N-(4-dipropylamino-butyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-N-methyl-benzenesulfonamide

Sources & evidence

ORD record
ord-47f28337fa764a5e821c509f863cd585
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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