Acetic Acid → HCID 22270723, compound

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

Reactant 4

HCID 176Acetic Acid

HCID 1118Sulfuric Acid

HCID 7856Chloroacetonitrile

HCID 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)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…