Sodium ion → 1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-phenylamino-butan-1-one

HRID 106408

Reaction equation

HRID 106408 reaction equation
[F:2][B-:3]([F:4])([F:5])[F:6].[H+:1].[N:7]([O-:8])=[O:9].[NH2:17][c:18]1[c:19]([NH:24][CH:25]([C:26](=[O:27])[N:28]2[CH2:29][c:30]3[cH:31][c:32]([O:40][CH3:41])[c:33]([O:38][CH3:39])[cH:34][c:35]3[CH2:36][CH2:37]2)[C:42]([CH3:43])([CH3:44])[CH3:45])[cH:20][cH:21][cH:22][cH:23]1.[Na+:10].[O:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1.[OH2:46]>>[cH:18]1[c:19]([NH:24][CH:25]([C:26](=[O:27])[N:28]2[CH2:29][c:30]3[cH:31][c:32]([O:40][CH3:41])[c:33]([O:38][CH3:39])[cH:34][c:35]3[CH2:36][CH2:37]2)[C:42]([CH3:43])([CH3:44])[CH3:45])[cH:20][cH:21][cH:22][cH:23]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1038Hydrogen cationHCID 26255TetrafluoroborateHCID 312751,4-DioxaneHCID 178486557HCID 178486557, compound

Product 1

HCID 225999101-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-phenylamino-butan-1-one

Sources & evidence

ORD record
ord-ee10978bb8db4b82af2660684950b41d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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