Acetate → 2-Cyanophenoxathiin

HRID 145879Notes

Reaction equation

HRID 145879 reaction equation
[CH3:21][C:22](=[O:23])[O-:24].[CH3:25][C:26]([O:27][C:28](=[O:29])[CH3:30])=[O:31].[CH3:32][C:33](=[O:34])[OH:35].[ClH:17].[NH2:18][OH:19].[Na+:20].[cH:1]1[c:2]([CH:15]=[O:16])[cH:3][cH:4][c:5]2[c:14]1[S:13][c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[O:6]2>>[cH:1]1[c:2]([C:15]#[N:18])[cH:3][cH:4][c:5]2[c:14]1[S:13][c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[O:6]2

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 923Sodium ionHCID 7918Acetic AnhydrideHCID 6150472-Formylphenoxathin

Product 1

HCID 203841882-Cyanophenoxathiin

Sources & evidence

ORD record
ord-aec88226a2ad4c87bb3a9761ed0b1ffa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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