Methanol → (3aRS,4SR,9aSR)-3a,4,9,9a-tetrahydro-4-phenyl-benz[f]isoindoline-2-propionic acid methyl ester

HRID 120958

Reaction equation

HRID 120958 reaction equation
[CH2:27]([N+:28]([CH3:29])([CH3:30])[CH3:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:20][O:21][C:22]([CH:23]=[CH2:24])=[O:25].[CH3:38][OH:39].[OH-:26].[c:1]1([CH:7]2[c:8]3[c:9]([cH:16][cH:17][cH:18][cH:19]3)[CH2:10][CH:11]3[CH2:12][NH:13][CH2:14][CH:15]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]2[c:8]3[c:9]([cH:16][cH:17][cH:18][cH:19]3)[CH2:10][CH:11]3[CH2:12][N:13]([CH2:24][CH2:23][C:22]([O:21][CH3:20])=[O:25])[CH2:14][CH:15]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 887MethanolHCID 961HydroxideHCID 5964BenzyltrimethylammoniumHCID 7294Methyl AcrylateHCID 70608213(3aRS,4SR,9aSR)-3a,4,9,9a-tetrahydro-4-phenyl-benz[f]isoindoline

Product 1

HCID 70609075(3aRS,4SR,9aSR)-3a,4,9,9a-tetrahydro-4-phenyl-benz[f]isoindoline-2-propionic acid methyl ester

Sources & evidence

ORD record
ord-faf50e0662da42e3be15028b813770f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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