Ammonium → methyl (3aRS,4SR,7RS,7aRS)-2-benzyl-7-hydroxy-7-(3,4-dimethylphenyl)-4-phenyl-octahydroisoindole-3a-carboxylate

HRID 1220308Notes

Reaction equation

HRID 1220308 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:9])[c:5]([CH3:8])[cH:6][cH:7]1.[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[N:18]1[CH2:19][CH:20]2[C:21](=[O:37])[CH2:22][CH2:23][CH:24]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[C:25]2([C:27](=[O:28])[O:29][CH3:30])[CH2:26]1.[CH3:40][CH2:41][O:42][CH2:43][CH3:44].[Cl-:38].[Mg:10].[NH4+:39].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[c:2]1([C:21]2([OH:37])[CH:20]3[CH2:19][N:18]([CH2:11][c:12]4[cH:13][cH:14][cH:15][cH:16][cH:17]4)[CH2:26][C:25]3([C:27](=[O:28])[O:29][CH3:30])[CH:24]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH2:23][CH2:22]2)[cH:3][c:4]([CH3:9])[c:5]([CH3:8])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 685044-Bromo-o-xyleneHCID 5462224MagnesiumHCID 11302988methyl(3aRS,4SR,7aRS)-2-benzyl-7-oxo-4-phenyloctahydroisoindole-3a-carboxylate

Product 1

HCID 86755048methyl (3aRS,4SR,7RS,7aRS)-2-benzyl-7-hydroxy-7-(3,4-dimethylphenyl)-4-phenyl-octahydroisoindole-3a-carboxylate

Sources & evidence

ORD record
ord-17e0881600d149729a81820561d936fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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