Chloride → 5-cyanospiro[benzo[b]furan-2(3H), 1'-cyclopropane]-3-one

HRID 164701Notes

Reaction equation

HRID 164701 reaction equation
[C-:23]#[N:24].[C:18](=[O:19])([O-:20])[OH:21].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl-:25].[ClH:29].[K:26][C:27]#[N:28].[N:14]([O-:15])=[O:16].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:12][cH:13]1)[O:6][C:7]1([C:8]2=[O:9])[CH2:10][CH2:11]1.[Na+:17].[Na+:22]>>[c:2]1([C:27]#[N:28])[cH:3][c:4]2[c:5]([cH:12][cH:13]1)[O:6][C:7]1([C:8]2=[O:9])[CH2:10][CH2:11]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 946NitriteHCID 1140TolueneHCID 5975CyanideHCID 8857Ethyl AcetateHCID 12925991HCID 12925991, compoundHCID 178511842HCID 178511842, compound

Product 1

HCID 129260375-cyanospiro[benzo[b]furan-2(3H), 1'-cyclopropane]-3-one

Sources & evidence

ORD record
ord-6787c4332fc641d3a878f3ba7d2bb5c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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