Acetic Acid → 3-(1,3-Dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-phenylpropanoic acid

HRID 95361

Reaction equation

HRID 95361 reaction equation
[CH3:24][C:25](=[O:26])[OH:27].[CH:13]12[CH:14]([CH2:15][CH2:16][CH2:17][CH2:18]1)[C:19](=[O:20])[O:21][C:22]2=[O:23].[NH2:1][CH:2]([CH2:3][C:4](=[O:5])[OH:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>>[N:1]1([CH:2]([CH2:3][C:4](=[O:5])[OH:6])[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[C:19](=[O:20])[CH:14]2[CH:13]([CH2:18][CH2:17][CH2:16][CH2:15]2)[C:22]1=[O:21]

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 69189DL-beta-PhenylalanineHCID 85689Hexahydrophthalic anhydride

Product 1

HCID 220223303-(1,3-Dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-phenylpropanoic acid

Sources & evidence

ORD record
ord-cbaf2dcfbc4d4ec5a875acc24c251b7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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