Hydrochloric Acid → N-cyclopropyl-3-fluoro-5-[2-(3-hydroxy-2,2-dimethylpropyl)-4-[(2-methylpiperazin-1-yl)methyl]-1-oxoisoquinolin-6-yl]-4-methylbenzamide

HRID 701146Notes

Reaction equation

HRID 701146 reaction equation
[CH3:48][CH:49]([OH:50])[CH3:51].[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][c:9]([F:46])[c:10]([CH3:45])[c:11](-[c:13]3[cH:14][c:15]4[c:16]([CH2:30][N:31]5[CH:32]([CH3:44])[CH2:33][N:34]([C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH2:35][CH2:36]5)[cH:17][n:18]([CH2:24][C:25]([CH2:26][OH:27])([CH3:28])[CH3:29])[c:19](=[O:23])[c:20]4[cH:21][cH:22]3)[cH:12]2)[CH2:2][CH2:3]1.[ClH:47]>>[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][c:9]([F:46])[c:10]([CH3:45])[c:11](-[c:13]3[cH:14][c:15]4[c:16]([CH2:30][N:31]5[CH:32]([CH3:44])[CH2:33][NH:34][CH2:35][CH2:36]5)[cH:17][n:18]([CH2:24][C:25]([CH2:26][OH:27])([CH3:28])[CH3:29])[c:19](=[O:23])[c:20]4[cH:21][cH:22]3)[cH:12]2)[CH2:2][CH2:3]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 67391570Tert-butyl 4-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxoisoquinolin-4-yl]methyl]-3-methylpiperazine-1-carboxylate

Product 1

HCID 67390876N-cyclopropyl-3-fluoro-5-[2-(3-hydroxy-2,2-dimethylpropyl)-4-[(2-methylpiperazin-1-yl)methyl]-1-oxoisoquinolin-6-yl]-4-methylbenzamide

Sources & evidence

ORD record
ord-5cdf41bc26244d8db5ba35fc5173edf5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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