Acetone → N,N-diethyl-N'-(2-fluoro-4-chlorophenyl)-3,4,5,6-tetrahydrophthalamide

Reaction equation

[CH2:20]([CH3:21])[NH:22][CH2:23][CH3:24].[CH3:25][C:26](=[O:27])[CH3:28].[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:19])[C:11]3=[C:12]([C:13]2=[O:14])[CH2:15][CH2:16][CH2:17][CH2:18]3)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1>>[F:1][c:2]1[c:3]([NH:9][C:13]([C:12]2=[C:11]([C:10](=[O:19])[N:22]([CH2:20][CH3:21])[CH2:23][CH3:24])[CH2:18][CH2:17][CH2:16][CH2:15]2)=[O:14])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

Reactant 3

HCID 180Acetone

HCID 8021Diethylamine

HCID 1859312-(4-Chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1h-isoindole-1,3(2h)-dione

Product 1

HCID 12893023N,N-diethyl-N'-(2-fluoro-4-chlorophenyl)-3,4,5,6-tetrahydrophthalamide

Sources & evidence

ORD record: ord-25db9a97a66147f0bb14754cacf34402
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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