Hydrochloric Acid → (3aRS,7aRS)-7,7-bis(3-fluorophenyl)-2-[1-imino-2-(2-methoxyphenyl)ethyl]perhydro-4-isoindolone

HRID 2347165Notes

Reaction equation

HRID 2347165 reaction equation
[B-:13]([F:14])([F:15])([F:16])[F:17].[C:50](=[O:51])([O-:52])[O-:53].[CH2:18]([O+:19]([CH2:20][CH3:21])[CH2:22][CH3:23])[CH3:24].[CH3:1][O:2][c:3]1[c:4]([CH2:9][C:10](=[O:11])[NH2:12])[cH:5][cH:6][cH:7][cH:8]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[Cl:56][CH2:57][Cl:58].[ClH:25].[F:26][c:27]1[cH:28][c:29]([C:33]2([c:43]3[cH:44][c:45]([F:49])[cH:46][cH:47][cH:48]3)[CH2:34][CH2:35][C:36](=[O:42])[CH:37]3[CH2:38][NH:39][CH2:40][CH:41]23)[cH:30][cH:31][cH:32]1.[K+:54].[K+:55]>>[CH3:1][O:2][c:3]1[c:4]([CH2:9][C:10](=[NH:12])[N:39]2[CH2:38][CH:37]3[C:36](=[O:42])[CH2:35][CH2:34][C:33]([c:29]4[cH:28][c:27]([F:26])[cH:32][cH:31][cH:30]4)([c:43]4[cH:44][c:45]([F:49])[cH:46][cH:47][cH:48]4)[CH:41]3[CH2:40]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 19660Carbonate IonHCID 26255TetrafluoroborateHCID 806622-(2-Methoxyphenyl)acetamideHCID 165095TriethyloxoniumHCID 442098167,7-bis(3-fluorophenyl)-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-one

Product 1

HCID 67915925(3aRS,7aRS)-7,7-bis(3-fluorophenyl)-2-[1-imino-2-(2-methoxyphenyl)ethyl]perhydro-4-isoindolone

Sources & evidence

ORD record
ord-55fce192b1484b0aab3e2482719215b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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