Hydrochloric Acid → N-Cyclopropyl-3-(2-(cyclopropylmethyl)-4-((2-(dimethylamino)ethoxy)methyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzamide

HRID 1132032Notes

Reaction equation

HRID 1132032 reaction equation
[C:31]12([CH2:32][S:33]([OH:34])(=[O:35])=[O:36])[C:37]([CH3:38])([CH3:39])[CH:40]([CH2:41][CH2:42]1)[CH2:43][C:44]2=[O:45].[CH2:56]1[O:57][CH2:58][CH2:59][O:60][CH2:61]1.[CH3:46][N:47]([CH3:48])[CH2:49][CH2:50][OH:51].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[c:13]3[cH:14][c:15]4[c:16]([CH2:28][OH:29])[cH:17][n:18]([CH2:24][CH:25]5[CH2:26][CH2:27]5)[c:19](=[O:23])[c:20]4[cH:21][cH:22]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:30])[CH2:2][CH2:3]1.[Cl:53][CH2:54][Cl:55].[ClH:52]>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[c:13]3[cH:14][c:15]4[c:16]([CH2:28][O:29][CH2:50][CH2:49][N:47]([CH3:46])[CH3:48])[cH:17][n:18]([CH2:24][CH:25]5[CH2:26][CH2:27]5)[c:19](=[O:23])[c:20]4[cH:21][cH:22]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:30])[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 79022-(Dimethylamino)ethanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 312751,4-DioxaneHCID 57551835HCID 57551835, compound

Product 1

HCID 57551726N-Cyclopropyl-3-(2-(cyclopropylmethyl)-4-((2-(dimethylamino)ethoxy)methyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzamide

Sources & evidence

ORD record
ord-59a6e19073394ac59c3bf7424f33c5b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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