Acetic Acid → 4-(2-Methylphenyl)-2-oxo-2,6,7,8-tetrahydrocyclopenta[g][1]benzopyran-3-carboxylic acid

HRID 1144708Notes

Reaction equation

HRID 1144708 reaction equation
[CH3:1][c:2]1[c:3](-[c:8]2[c:9]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[c:10](=[O:21])[o:11][c:12]3[c:13]2[cH:14][c:15]2[c:16]([cH:17]3)[CH2:18][CH2:19][CH2:20]2)[cH:4][cH:5][cH:6][cH:7]1.[CH3:28][C:29](=[O:30])[OH:31].[ClH:27].[OH2:32]>>[CH3:1][c:2]1[c:3](-[c:8]2[c:9]([C:22](=[O:23])[OH:24])[c:10](=[O:21])[o:11][c:12]3[c:13]2[cH:14][c:15]2[c:16]([cH:17]3)[CH2:18][CH2:19][CH2:20]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 962WaterHCID 10450416HCID 10450416, compound

Product 1

HCID 103586304-(2-Methylphenyl)-2-oxo-2,6,7,8-tetrahydrocyclopenta[g][1]benzopyran-3-carboxylic acid

Sources & evidence

ORD record
ord-24da014cfc4e4c5897c32cd29b3c7bc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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