Ammonium → 1-(4-Amino-2-chlorophenyl)ethan-1-one

HRID 1141246Notes

Reaction equation

HRID 1141246 reaction equation
[CH3:29][O:30][C:31](=[O:32])[CH2:33][C:34]([O:35][CH3:36])=[O:37].[CH3:38][CH2:39][OH:40].[Cl-:1].[Cl:16][c:17]1[cH:18][c:19]([N+:20]([O-:21])=[O:22])[cH:23][cH:24][c:25]1[C:26]([Cl:27])=[O:28].[Cl:3][c:4]1[c:5]([C:13]([CH3:14])=[O:15])[cH:6][cH:7][c:8]([N+:10]([O-:11])=[O:12])[cH:9]1.[Cl:42][CH2:43][Cl:44].[Fe:41].[NH4+:2].[OH2:45]>>[Cl:3][c:4]1[c:5]([C:13]([CH3:14])=[O:15])[cH:6][cH:7][c:8]([NH2:10])[cH:9]1

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 6344DichloromethaneHCID 7943Dimethyl malonateHCID 23925IronHCID 81522Benzoyl chloride, 2-chloro-4-nitro-HCID 3143021-(2-chloro-4-nitrophenyl)ethanone

Product 1

HCID 127338371-(4-Amino-2-chlorophenyl)ethan-1-one

Sources & evidence

ORD record
ord-fe56977322a64002bf873cde5f1ce384
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…