Ammonia → (3aRS,7aRS)-2-[1-Imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenylperhydro-4-isoindolone

HRID 283191Notes

Reaction equation

HRID 283191 reaction equation
[B-:2]([F:3])([F:4])([F:5])[F:6].[C:42](=[O:43])([O-:44])[O-:45].[CH2:7]([O:8][C:10]([CH2:11][c:12]1[c:13]([O:18][CH3:19])[cH:14][cH:15][cH:16][cH:17]1)=[N+:20]1[CH2:21][CH:22]2[C:23]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH2:24][CH2:25][C:26](=[O:29])[CH:27]2[CH2:28]1)[CH3:9].[Cl:48][CH2:49][Cl:50].[K+:46].[K+:47].[NH3:1]>>[NH:1]=[C:10]([CH2:11][c:12]1[c:13]([O:18][CH3:19])[cH:14][cH:15][cH:16][cH:17]1)[N:20]1[CH2:21][CH:22]2[C:23]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH2:24][CH2:25][C:26](=[O:29])[CH:27]2[CH2:28]1

Participants

7

Reactant 6

HCID 222AmmoniaHCID 813Potassium Cation2×HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 26255TetrafluoroborateHCID 867457952-[1-Ethoxy-2-(2-methoxyphenyl)ethylidene]-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-ium-4-one

Product 1

HCID 3505088(3aRS,7aRS)-2-[1-Imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenylperhydro-4-isoindolone

Sources & evidence

ORD record
ord-7c3fd7a3abad4409b1058e6c1d9eba42
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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