Acetic Acid → Chloride

HRID 310816Notes

Reaction equation

HRID 310816 reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[Cl-:12].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[O:9])[cH:10][cH:11]1.[NH2:13][n:14]1[c:15]([CH2:30][CH3:31])[n+:16]([N:19]=[CH:20][c:21]2[cH:22][cH:23][c:24]([N:27]([CH3:28])[CH3:29])[cH:25][cH:26]2)[cH:17][cH:18]1>>[Cl-:12].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[N:13][n:14]2[c:15]([CH2:30][CH3:31])[n+:16]([N:19]=[CH:20][c:21]3[cH:22][cH:23][c:24]([N:27]([CH3:28])[CH3:29])[cH:25][cH:26]3)[cH:17][cH:18]2)[cH:10][cH:11]1

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 312ChlorideHCID 5414-NitrobenzaldehydeHCID 178437961HCID 178437961, compound

Product 2

HCID 312ChlorideHCID 178437937HCID 178437937, compound

Sources & evidence

ORD record
ord-274de48becf74feead8370c2fb58aca6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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