Water → 6-[[5-(1-aminopropyl)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]-7-chloro-2H-isoquinolin-1-one

HRID 682655Notes

Reaction equation

HRID 682655 reaction equation
[CH3:32][CH:33]([OH:34])[CH3:35].[Cl:1][c:2]1[c:3]([O:14][CH:15]2[CH:16]3[CH2:17][C:18]([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)([CH:28]([CH2:29][CH3:30])[NH2:31])[CH:19]([CH2:20]2)[CH2:21]3)[cH:4][c:5]2[cH:6][cH:7][n:8][c:9]([O:12][CH3:13])[c:10]2[cH:11]1.[OH2:36]>>[Cl:1][c:2]1[c:3]([O:14][CH:15]2[CH:16]3[CH2:17][C:18]([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)([CH:28]([CH2:29][CH3:30])[NH2:31])[CH:19]([CH2:20]2)[CH2:21]3)[cH:4][c:5]2[cH:6][cH:7][nH:8][c:9](=[O:12])[c:10]2[cH:11]1

Participants

4

Reactant 3

HCID 962WaterHCID 3776IsopropanolHCID 178456709HCID 178456709, compound

Product 1

HCID 670756716-[[5-(1-aminopropyl)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]-7-chloro-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-2ea0f28ae5aa4cb8b4c69e2a190e4950
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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