Acetic Acid → 2-(4-Hydroxy-3,5-dimethoxy-benzylidene)-5-methyl-furan-3-one

HRID 114724

Reaction equation

HRID 114724 reaction equation
[B:24]([O:25][CH:26]([CH2:27][CH3:28])[CH3:29])([O:30][CH:31]([CH2:32][CH3:33])[CH3:34])[O:35][CH:36]([CH2:37][CH3:38])[CH3:39].[CH2:40]([NH2:41])[CH2:42][CH2:43][CH3:44].[CH3:1][C:2]1=[CH:3][C:4](=[O:7])[CH2:5][O:6]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:55][C:56](=[O:57])[OH:58].[CH:11]([c:12]1[cH:13][c:14]([O:15][CH3:16])[c:17]([OH:18])[c:19]([O:20][CH3:21])[cH:22]1)=[O:23].[Ca+2:10].[Cl-:8].[Cl-:9].[Cl:45][CH2:46][Cl:47].[OH2:54]>>[CH3:1][C:2]1=[CH:3][C:4](=[O:7])[C:5](=[CH:11][c:12]2[cH:13][c:14]([O:15][CH3:16])[c:17]([OH:18])[c:19]([O:20][CH3:21])[cH:22]2)[O:6]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 271Calcium CationHCID 312Chloride2×HCID 962WaterHCID 6344DichloromethaneHCID 8007ButylamineHCID 8655SyringaldehydeHCID 8857Ethyl AcetateHCID 31077Tris(1-methylpropyl) borateHCID 127115945-Methylfuran-3-one

Product 1

HCID 670556882-(4-Hydroxy-3,5-dimethoxy-benzylidene)-5-methyl-furan-3-one

Sources & evidence

ORD record
ord-49244b4441d842cdbc6b81c63fb7bd0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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