Hydrochloric Acid → (3aRS,7aRS)-7,7-diphenyl-2-[(2-fluorophenyl)acetyl]-4-perhydroisoindolone

HRID 164710

Reaction equation

HRID 164710 reaction equation
[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:52][C:53]#[N:54].[CH:42]([O:43][CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:49][CH2:50][Cl:51].[ClH:12].[F:1][c:2]1[c:3]([CH2:8][C:9](=[O:10])[OH:11])[cH:4][cH:5][cH:6][cH:7]1.[c:13]1([C:19]2([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:20][CH2:21][C:22](=[O:28])[CH:23]3[CH2:24][NH:25][CH2:26][CH:27]23)[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[F:1][c:2]1[c:3]([CH2:8][C:9](=[O:11])[N:25]2[CH2:24][CH:23]3[C:22](=[O:28])[CH2:21][CH2:20][C:19]([c:13]4[cH:14][cH:15][cH:16][cH:17][cH:18]4)([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[CH:27]3[CH2:26]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 7914Diisopropyl EtherHCID 8471TriethylamineHCID 67979Benzeneacetic acid, 2-fluoro-HCID 21264544(3aRS,7aRS)-7,7-Diphenylperhydro-4-isoindolone

Product 1

HCID 67915911(3aRS,7aRS)-7,7-diphenyl-2-[(2-fluorophenyl)acetyl]-4-perhydroisoindolone

Sources & evidence

ORD record
ord-d36d3bbf1910453ba83bba91241b6051
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…