Hydrochloric Acid → 6-[4-(1-Amino-propyl)-4-trifluoromethyl-cyclohexyloxy]-7-chloro-2H-isoquinolin-1-one

HRID 209985Notes

Reaction equation

HRID 209985 reaction equation
[CH3:29][CH:30]([OH:31])[CH3:32].[Cl:1][c:2]1[c:3]([O:14][CH:15]2[CH2:16][CH2:17][C:18]([C:21]([F:22])([F:23])[F:24])([CH:25]([CH2:26][CH3:27])[NH2:28])[CH2:19][CH2:20]2)[cH:4][c:5]2[cH:6][cH:7][n:8][c:9]([O:12][CH3:13])[c:10]2[cH:11]1.[ClH:33].[OH2:34]>>[Cl:1][c:2]1[c:3]([O:14][CH:15]2[CH2:16][CH2:17][C:18]([C:21]([F:22])([F:23])[F:24])([CH:25]([CH2:26][CH3:27])[NH2:28])[CH2:19][CH2:20]2)[cH:4][c:5]2[cH:6][cH:7][nH:8][c:9](=[O:12])[c:10]2[cH:11]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 962WaterHCID 3776IsopropanolHCID 583808401-[4-(7-Chloro-1-methoxy-isoquinolin-6-yloxy)-1-trifluoromethyl-cyclohexyl]-propylamine

Product 1

HCID 445994996-[4-(1-Amino-propyl)-4-trifluoromethyl-cyclohexyloxy]-7-chloro-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-377bd17bbe6147638a6f15a5819ce1a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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