Hydrochloric Acid → 6-(4-Hydroxy-3-methoxyphenyl)hex-5-ene-2,4-dione

HRID 678457Notes

Reaction equation

HRID 678457 reaction equation
[B:19]([O:20][CH2:21][CH2:22][CH2:23][CH3:24])([O:25][CH2:26][CH2:27][CH2:28][CH3:29])[O:30][CH2:31][CH2:32][CH2:33][CH3:34].[C:51]([O:52][CH2:53][CH3:54])(=[O:55])[CH3:56].[CH2:35]([NH2:36])[CH2:37][CH2:38][CH3:39].[CH3:1][C:2](=[O:3])[CH2:4][C:5]([CH3:6])=[O:7].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH:47]([Cl:48])([Cl:49])[Cl:50].[ClH:40].[OH2:57].[OH:8][c:9]1[c:10]([O:17][CH3:18])[cH:11][c:12]([CH:13]=[O:14])[cH:15][cH:16]1>>[CH3:1][C:2](=[O:3])[CH2:4][C:5]([CH:6]=[CH:13][c:12]1[cH:11][c:10]([O:17][CH3:18])[c:9]([OH:8])[cH:16][cH:15]1)=[O:7]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 1183VanillinHCID 6212ChloroformHCID 8007ButylamineHCID 8857Ethyl Acetate2×HCID 12712Tributyl borateHCID 31261Acetylacetone

Product 1

HCID 543188196-(4-Hydroxy-3-methoxyphenyl)hex-5-ene-2,4-dione

Sources & evidence

ORD record
ord-07414778d24d414f9ae122f73a29118e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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