Sodium ion → 2-Benzyl-1-(4-(trifluoromethyl)phenyl)-1,2-dihydroisoquinolin-3(4H)-one

HRID 97433

Reaction equation

HRID 97433 reaction equation
[Cl:41][CH2:42][Cl:43].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:7]=[O:8])[cH:9][cH:10]1)([F:11])[F:12].[NH2:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[Na+:40].[OH-:39].[OH:31][S:32]([C:33]([F:34])([F:35])[F:36])(=[O:37])=[O:38].[c:21]1([CH2:27][C:28](=[O:29])[Cl:30])[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:7]2[N:13]([CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[C:28](=[O:29])[CH2:27][c:21]3[c:22]2[cH:23][cH:24][cH:25][cH:26]3)[cH:9][cH:10]1)([F:11])[F:12]

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 7504BenzylamineHCID 7679Phenylacetyl chlorideHCID 62406Trifluoromethanesulfonic acidHCID 679964-(Trifluoromethyl)benzaldehyde

Product 1

HCID 595363842-Benzyl-1-(4-(trifluoromethyl)phenyl)-1,2-dihydroisoquinolin-3(4H)-one

Sources & evidence

ORD record
ord-322c97230d214397b686bf1aa07cf6d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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