Acetic Acid → N-[4-[(dipropylamino)methyl]phenyl]-4-[[(1-methylimidazol-2-yl)methyl-(1H-1,2,4-triazol-3-ylmethyl)amino]methyl]benzamide

HRID 1147416Notes

Reaction equation

HRID 1147416 reaction equation
[C:40]([BH3-:41])#[N:42].[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([CH2:23][NH:24][CH2:25][c:26]3[n:27]([CH3:31])[cH:28][cH:29][n:30]3)[cH:21][cH:22]2)=[O:32])[cH:13][cH:14]1.[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][OH:49].[Na+:43].[nH:33]1[n:34][c:35]([CH:38]=[O:39])[n:36][cH:37]1>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([CH2:23][N:24]([CH2:25][c:26]3[n:27]([CH3:31])[cH:28][cH:29][n:30]3)[CH2:38][c:35]3[n:34][nH:33][cH:37][n:36]3)[cH:21][cH:22]2)=[O:32])[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 66941901N-(4-dipropylaminomethyl-phenyl)-4-{[(1-methylimidazol-2-ylmethyl)-amino]methyl}benzamideHCID 1785199984H-1,2,4-triazole-3-carbaldehyde

Product 1

HCID 178457175N-[4-[(dipropylamino)methyl]phenyl]-4-[[(1-methylimidazol-2-yl)methyl-(1H-1,2,4-triazol-3-ylmethyl)amino]methyl]benzamide

Sources & evidence

ORD record
ord-b02802d5437d459db3f4b6e6767637ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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