Acetic Acid → HCID 21886036, compound

HRID 1561793Notes

Reaction equation

HRID 1561793 reaction equation
[Br:4][c:5]1[cH:6][c:7]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][c:16]([C:22]#[N:23])[s:17][c:18]2[N+:19]([O-:20])=[O:21])[cH:8][cH:9][cH:10]1.[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[CH3:1][S-:2].[CH3:24][C:25](=[O:26])[OH:27].[CH3:28][CH2:29][OH:30].[CH3:36][CH2:37][O:38][CH2:39][CH3:40].[Na+:3]>>[CH3:1][S:2][c:18]1[c:14]([S:11]([c:7]2[cH:6][c:5]([Br:4])[cH:10][cH:9][cH:8]2)(=[O:12])=[O:13])[cH:15][c:16]([C:22]#[N:23])[s:17]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 519392MercaptomethanideHCID 21886203HCID 21886203, compound

Product 1

HCID 21886036HCID 21886036, compound

Sources & evidence

ORD record
ord-f5be7165aee242329425fb78108b71c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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