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

HRID 1218163Notes

Reaction equation

HRID 1218163 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[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.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:51][CH2:52][Cl:53].[ClH:13].[F:14][c:15]1[cH:16][c:17]([C:21]2([c:31]3[cH:32][c:33]([F:37])[cH:34][cH:35][cH:36]3)[CH2:22][CH2:23][C:24](=[O:30])[CH:25]3[CH2:26][NH:27][CH2:28][CH:29]23)[cH:18][cH:19][cH:20]1.[K+:49].[K+:50]>>[CH3:1][O:2][c:3]1[c:4]([CH2:9][C:10](=[NH:12])[N:27]2[CH2:26][CH:25]3[C:24](=[O:30])[CH2:23][CH2:22][C:21]([c:17]4[cH:16][c:15]([F:14])[cH:20][cH:19][cH:18]4)([c:31]4[cH:32][c:33]([F:37])[cH:34][cH:35][cH:36]4)[CH:29]3[CH2:28]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 19660Carbonate IonHCID 806622-(2-Methoxyphenyl)acetamideHCID 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-3cc58f32fa1a4ee19b8e55944d1030a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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