Water → (3aRS,4RS,7aSR)-2-benzyl-4-[3,5-bis(trifluoromethyl)phenyl]-4-perhydroisoindolol

HRID 196830

Reaction equation

HRID 196830 reaction equation
[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[N:28]1[CH2:29][CH:30]2[CH2:31][CH2:32][CH2:33][C:34](=[O:37])[CH:35]2[CH2:36]1.[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[F:1][C:2]([c:3]1[cH:4][c:5]([Br:13])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:14])[F:15].[Li:16][CH2:17][CH2:18][CH2:19][CH3:20].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:38]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:34]2([OH:37])[CH2:33][CH2:32][CH2:31][CH:30]3[CH2:29][N:28]([CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[CH2:36][CH:35]32)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:14])[F:15]

Participants

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 8058HexaneHCID 676021-Bromo-3,5-bis(trifluoromethyl)benzeneHCID 438112032-Benzyloctahydro-4H-isoindol-4-oneHCID 178418339Butyllithium

Product 1

HCID 86750777(3aRS,4RS,7aSR)-2-benzyl-4-[3,5-bis(trifluoromethyl)phenyl]-4-perhydroisoindolol

Sources & evidence

ORD record
ord-8ca6667df9da46708b702c2a94bfaf40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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