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

HRID 281500

Reaction equation

HRID 281500 reaction equation
[CH3:1][N:2]([c:3]1[c:4]([CH2:10][C:11](=[O:12])[OH:13])[cH:5][cH:6][c:7]([F:9])[cH:8]1)[CH3:14].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:45][CH2:46][Cl:47].[ClH:15].[c:16]1([C:22]2([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:23][CH2:24][C:25](=[O:31])[CH:26]3[CH2:27][NH:28][CH2:29][CH:30]23)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[CH3:1][N:2]([c:3]1[c:4]([CH2:10][C:11](=[O:13])[N:28]2[CH2:27][CH:26]3[C:25](=[O:31])[CH2:24][CH2:23][C:22]([c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[CH:30]3[CH2:29]2)[cH:5][cH:6][c:7]([F:9])[cH:8]1)[CH3:14]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 198999172-[2-(Dimethylamino)-4-fluorophenyl]acetic acidHCID 21264544(3aRS,7aRS)-7,7-Diphenylperhydro-4-isoindolone

Product 1

HCID 67915774(3aRS,7aRS)-2-[(2-dimethylamino-4-fluorophenyl)acetyl]-7,7-diphenyl-4-perhydroisoindolone

Sources & evidence

ORD record
ord-5c3d5e95ad7b40839c68f2029200349b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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