Acetic Acid → HCID 178477133, compound

HRID 677506Notes

Reaction equation

HRID 677506 reaction equation
[Br:21].[C:22]([CH3:23])(=[S:24])[O-:25].[CH3:27][C:28](=[O:29])[OH:30].[CH3:31][C:32]#[N:33].[Na+:26].[c:1]1([C:6](=[O:7])[CH2:8][CH:9]([C:10](=[O:11])[N:12]2[CH:13]([C:14](=[O:15])[OH:16])[CH2:17][CH2:18][CH2:19]2)[CH3:20])[cH:2][cH:3][cH:4][s:5]1>>[c:1]1([C:6](=[O:7])[CH:8]([CH:9]([C:10](=[O:11])[N:12]2[CH:13]([C:14](=[O:15])[OH:16])[CH2:17][CH2:18][CH2:19]2)[CH3:20])[S:24][C:22]([CH3:23])=[O:25])[cH:2][cH:3][cH:4][s:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 923Sodium ionHCID 6342AcetonitrileHCID 178450207HCID 178450207, compoundHCID 178476994HCID 178476994, compound

Product 1

HCID 178477133HCID 178477133, compound

Sources & evidence

ORD record
ord-96444aac7fa2401daed9143df5eab50d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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