N,N-Dimethyl-1,3-propanediamine → N-Cyclopropyl-3-(2-(cyclopropylmethyl)-4-((3-(dimethylamino)propylamino)methyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-5-fluoro-4-methylbenzamide

HRID 212593Notes

Reaction equation

HRID 212593 reaction equation
[CH3:32][N:33]([CH2:34][CH2:35][CH2:36][NH2:37])[CH3:38].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[c:14]3[cH:15][c:16]4[c:17]([CH:29]=[O:30])[cH:18][n:19]([CH2:25][CH:26]5[CH2:27][CH2:28]5)[c:20](=[O:24])[c:21]4[cH:22][cH:23]3)[c:9]([CH3:13])[c:10]([F:12])[cH:11]2)=[O:31])[CH2:2][CH2:3]1>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[c:14]3[cH:15][c:16]4[c:17]([CH2:29][NH:37][CH2:36][CH2:35][CH2:34][N:33]([CH3:32])[CH3:38])[cH:18][n:19]([CH2:25][CH:26]5[CH2:27][CH2:28]5)[c:20](=[O:24])[c:21]4[cH:22][cH:23]3)[c:9]([CH3:13])[c:10]([F:12])[cH:11]2)=[O:31])[CH2:2][CH2:3]1

Participants

3

Reactant 2

HCID 7993N,N-Dimethyl-1,3-propanediamineHCID 57551841N-Cyclopropyl-3-(2-(cyclopropylmethyl)-4-formyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-5-fluoro-4-methylbenzamide

Product 1

HCID 57551742N-Cyclopropyl-3-(2-(cyclopropylmethyl)-4-((3-(dimethylamino)propylamino)methyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-5-fluoro-4-methylbenzamide

Sources & evidence

ORD record
ord-1857cc5de27d407f966aa0769a1e3770
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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