Acetic Acid → HCID 22270723, compound

HRID 284010Notes

Reaction equation

HRID 284010 reaction equation
[CH3:30][C:31](=[O:32])[OH:33].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9]([CH3:10])([OH:11])[CH3:12])[CH2:13][c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1.[Cl:21][CH2:22][C:23]#[N:24].[S:25]([OH:26])(=[O:27])(=[O:28])[OH:29]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9]([CH3:10])([CH3:12])[NH:24][C:23]([CH2:22][Cl:21])=[O:26])[CH2:13][c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 1118Sulfuric AcidHCID 7856ChloroacetonitrileHCID 22270422HCID 22270422, compound

Product 1

HCID 22270723HCID 22270723, compound

Sources & evidence

ORD record
ord-413096b03bc242edb026f06ea99adbcb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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