Hydrochloric Acid → (3aRS,4RS,6SR,7aSR)-6-hydroxymethyl-4-(2-fluorophenyl)-2-[2-(1-pyrrolidinyl)phenylacetyl]perhydroisoindol-4-ol

HRID 170400Notes

Reaction equation

HRID 170400 reaction equation
[ClH:1].[N:21]1([c:26]2[c:27]([CH2:32][C:33](=[O:34])[OH:35])[cH:28][cH:29][cH:30][cH:31]2)[CH2:22][CH2:23][CH2:24][CH2:25]1.[OH:2][CH2:3][CH:4]1[CH2:5][C:6]([OH:13])([c:14]2[c:15]([F:20])[cH:16][cH:17][cH:18][cH:19]2)[CH:7]2[CH2:8][NH:9][CH2:10][CH:11]2[CH2:12]1>>[OH:2][CH2:3][CH:4]1[CH2:5][C:6]([OH:13])([c:14]2[c:15]([F:20])[cH:16][cH:17][cH:18][cH:19]2)[CH:7]2[CH2:8][N:9]([C:33]([CH2:32][c:27]3[c:26]([N:21]4[CH2:22][CH2:23][CH2:24][CH2:25]4)[cH:31][cH:30][cH:29][cH:28]3)=[O:34])[CH2:10][CH:11]2[CH2:12]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 230093992-[2-(Pyrrolidin-1-yl)phenyl]acetic acidHCID 67660518(3aRS,4RS,6SR,7aSR)-6-hydroxymethyl-4-(2-fluorophenyl)perhydroisoindol-4-ol

Product 1

HCID 86752420(3aRS,4RS,6SR,7aSR)-6-hydroxymethyl-4-(2-fluorophenyl)-2-[2-(1-pyrrolidinyl)phenylacetyl]perhydroisoindol-4-ol

Sources & evidence

ORD record
ord-94363a0f37e843bfa7dc8604ad6bc81a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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