Phosphoric Acid → 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carbonitrile

HRID 2317137Notes

Reaction equation

HRID 2317137 reaction equation
[C:1]([O:2][c:3]1[c:4]([CH3:5])[cH:6][c:7]([OH:8])[c:9]([CH3:10])[c:11]1[CH3:12])(=[O:13])[CH3:14].[C:20](=[O:21])([CH3:22])[O:23][c:24]1[c:25]([CH3:39])[c:26]2[c:31]([c:32]([CH3:35])[c:33]1[CH3:34])[O:30][C:29]([C:36]#[N:37])([CH3:38])[CH2:28][CH2:27]2.[P:15](=[O:16])([OH:17])([OH:18])[OH:19]>>[OH:23][c:24]1[c:25]([CH3:39])[c:26]2[c:31]([c:32]([CH3:35])[c:33]1[CH3:34])[O:30][C:29]([C:36]#[N:37])([CH3:38])[CH2:28][CH2:27]2

Participants

4

Reactant 3

HCID 1004Phosphoric AcidHCID 1190244-Hydroxy-2,3,6-trimethylphenyl acetateHCID 144156756-Acetoxy-2,5,7,8-tetramethyl-2-cyanochromane

Product 1

HCID 116802373,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carbonitrile

Sources & evidence

ORD record
ord-090de9ba6fad4aba835b46efd73c91fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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