Acetic Acid → methyl 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxylate

HRID 167690Notes

Reaction equation

HRID 167690 reaction equation
[C:41].[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:32][C:33](=[O:34])[OH:35].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]1[O:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[C:18]([c:24]3[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]3)=[C:19]1[C:20](=[O:21])[O:22][CH3:23])[cH:9]2.[Pd:42]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]1[O:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH:18]([c:24]3[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]3)[CH:19]1[C:20](=[O:21])[O:22][CH3:23])[cH:9]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 297MethaneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 23938PalladiumHCID 11729397methyl 2-(benzo[1,3]dioxol-5-yl)-4-(4-methoxy-phenyl)-2H-chromen-3-carboxylate

Product 1

HCID 15512570methyl 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxylate

Sources & evidence

ORD record
ord-40e4582f4f7e49b3aae0d33b5001e800
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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