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

HRID 1544074Notes

Reaction equation

HRID 1544074 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.[CH3:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH:27][C:28](=[O:29])[c:30]1[n:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[nH:38]1.[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:28](=[O:27])[c:30]2[nH:31][c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]3[n:38]2)[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

7

Reactant 6

HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2332402-Benzimidazolecarboxylic acidHCID 11187147N-(3,5-dimethyl-pyridin-2-ylmethyl)-N-isoquinolin-1-ylmethyl-butane-1,4-diamine

Product 1

HCID 589970531H-benzoimidazole-2-carboxylic acid-{4-[(3,5-dimethyl-pyridin-2-ylmethyl)-isoquinolin-1-ylmethyl-amino]-butyl}-amide

Sources & evidence

ORD record
ord-05f6e61b0d674fc39621caa89e8a6e86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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