Acetic Acid → 3-Chloro-4-((4-methylpiperazin-1-yl)methyl)aniline

HRID 302808Notes

Reaction equation

HRID 302808 reaction equation
[CH3:23][C:24](=[O:25])[OH:26].[CH3:27][OH:28].[Cl-:19].[Cl:1][c:2]1[c:3]([CH2:4][N:5]2[CH2:6][CH2:7][N:8]([CH3:11])[CH2:9][CH2:10]2)[cH:12][cH:13][c:14]([N+:16]([O-:17])=[O:18])[cH:15]1.[N:21]#[N:22].[NH4+:20].[OH2:29]>>[Cl:1][c:2]1[c:3]([CH2:4][N:5]2[CH2:6][CH2:7][N:8]([CH3:11])[CH2:9][CH2:10]2)[cH:12][cH:13][c:14]([NH2:16])[cH:15]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 947NitrogenHCID 962WaterHCID 667358141-(2-Chloro-4-nitrobenzyl)-4-methylpiperazine

Product 1

HCID 287219333-Chloro-4-((4-methylpiperazin-1-yl)methyl)aniline

Sources & evidence

ORD record
ord-fe29ddbab95b4cad9ec4cb140a19abf1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…