Ammonium → methyl (3aRS,4SR,7RS,7aRS)-2-benzyl-7-hydroxy-7-[4-(trifluoromethyl)phenyl]-4-phenyloctahydroisoindole-3a-carboxylate

HRID 666830Notes

Reaction equation

HRID 666830 reaction equation
[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[N:20]1[CH2:21][CH:22]2[C:23](=[O:39])[CH2:24][CH2:25][CH:26]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[C:27]2([C:29](=[O:30])[O:31][CH3:32])[CH2:28]1.[CH3:42][CH2:43][O:44][CH2:45][CH3:46].[Cl-:40].[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]([Br:10])[cH:8][cH:9]1)([F:11])[F:12].[Mg:1].[NH4+:41]>>[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]([C:23]2([OH:39])[CH:22]3[CH2:21][N:20]([CH2:13][c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[CH2:28][C:27]3([C:29](=[O:30])[O:31][CH3:32])[CH:26]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:25][CH2:24]2)[cH:8][cH:9]1)([F:11])[F:12]

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 3283Diethyl EtherHCID 67872Benzene, 1-bromo-4-(trifluoromethyl)-HCID 5462224MagnesiumHCID 11302988methyl(3aRS,4SR,7aRS)-2-benzyl-7-oxo-4-phenyloctahydroisoindole-3a-carboxylate

Product 1

HCID 86755051methyl (3aRS,4SR,7RS,7aRS)-2-benzyl-7-hydroxy-7-[4-(trifluoromethyl)phenyl]-4-phenyloctahydroisoindole-3a-carboxylate

Sources & evidence

ORD record
ord-cde97daf948c443bae15f4b5133732c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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