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

HRID 1240634Notes

Reaction equation

HRID 1240634 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:9])[c:5]([CH3:8])[cH:6][cH:7]1.[CH3:11][O:12][C:13](=[O:14])[C:15]12[CH2:16][N:17]([CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:18][CH:19]1[C:20](=[O:30])[CH2:21][CH2:22][CH:23]2[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]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:20]2([OH:30])[CH:19]3[C:15]([C:13]([O:12][CH3:11])=[O:14])([CH2:16][N:17]([CH2:31][c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[CH2:18]3)[CH:23]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:22][CH2:21]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-50211781d94d42b68ae69869d17463b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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