1-(2-Hydroxyethyl)piperazine → N-Cyclopropyl-3-(2-(cyclopropylmethyl)-4-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-5-fluoro-4-methylbenzamide

HRID 697644Notes

Reaction equation

HRID 697644 reaction equation
[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.[N:32]1([CH2:38][CH2:39][OH:40])[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]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][N:35]5[CH2:34][CH2:33][N:32]([CH2:38][CH2:39][OH:40])[CH2:37][CH2:36]5)[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 76771-(2-Hydroxyethyl)piperazineHCID 57551841N-Cyclopropyl-3-(2-(cyclopropylmethyl)-4-formyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-5-fluoro-4-methylbenzamide

Product 1

HCID 25020346N-Cyclopropyl-3-(2-(cyclopropylmethyl)-4-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-5-fluoro-4-methylbenzamide

Sources & evidence

ORD record
ord-c92638a35ac14a28a0854044e9329591
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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