Dichloromethane → 1H-benzimidazole-4-carboxylic acid-{4-[(3,5-dimethyl-pyridin-2-ylmethyl)-isoquinolin-1-ylmethyl-amino]-butyl}-amide

HRID 312182Notes

Reaction equation

HRID 312182 reaction equation
[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH2:11][CH2:12][CH2:13][CH2:14][NH2:15])[CH2:16][c:17]2[n:18][cH:19][cH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]23)[n:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[Cl:46][CH2:47][Cl:48].[nH:34]1[cH:35][n:36][c:37]2[c:38]1[cH:39][cH:40][cH:41][c:42]2[C:43](=[O:44])[Cl:45]>>[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:43]([c:42]2[c:37]3[n:36][cH:35][nH:34][c:38]3[cH:39][cH:40][cH:41]2)=[O:44])[CH2:16][c:17]2[n:18][cH:19][cH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]23)[n:4][cH:5][c:6]([CH3:8])[cH:7]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 11187147N-(3,5-dimethyl-pyridin-2-ylmethyl)-N-isoquinolin-1-ylmethyl-butane-1,4-diamineHCID 539029101H-benzoimidazole-4-carbonyl chloride

Product 1

HCID 589969441H-benzimidazole-4-carboxylic acid-{4-[(3,5-dimethyl-pyridin-2-ylmethyl)-isoquinolin-1-ylmethyl-amino]-butyl}-amide

Sources & evidence

ORD record
ord-869177a551f8413b878262d27567d695
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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