Hydrochloric Acid → 6-{4-[1-Amino-1-(4-methoxy-phenyl)-ethyl]-cyclohexyloxy}-7-chloro-2H-isoquinolin-1-one

HRID 2311355Notes

Reaction equation

HRID 2311355 reaction equation
[C:34](#[N:35])[CH3:36].[CH:37]([OH:38])([CH3:39])[CH3:40].[Cl:2][c:3]1[c:4]([O:15][CH:16]2[CH2:17][CH2:18][CH:19]([C:22]([CH3:23])([c:24]3[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]3)[NH2:32])[CH2:20][CH2:21]2)[cH:5][c:6]2[cH:7][cH:8][n:9][c:10]([O:13][CH3:14])[c:11]2[cH:12]1.[ClH:1].[OH2:33]>>[Cl:2][c:3]1[c:4]([O:15][CH:16]2[CH2:17][CH2:18][CH:19]([C:22]([CH3:23])([c:24]3[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]3)[NH2:32])[CH2:20][CH2:21]2)[cH:5][c:6]2[cH:7][cH:8][nH:9][c:10](=[O:13])[c:11]2[cH:12]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 962WaterHCID 3776IsopropanolHCID 6342AcetonitrileHCID 583809811-[4-(7-Chloro-1-methoxyisoquinolin-6-yloxy)-cyclohexyl]-1-(4-methoxyphenyl)-ethylamine

Product 1

HCID 583809446-{4-[1-Amino-1-(4-methoxy-phenyl)-ethyl]-cyclohexyloxy}-7-chloro-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-fe5a66af8c1d4905bb9de8f7605f3872
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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