Water → N-(4-methyl-1-piperazinyl)-7-nitro-1,4-benzodioxane-5-carboxamide

HRID 175015

Reaction equation

HRID 175015 reaction equation
[CH2:26]([C:27]([CH3:28])=[O:29])[CH3:30].[N+:9](=[O:10])([O-:11])[c:12]1[cH:13][c:14]([C:22](=[O:23])[Cl:24])[c:15]2[c:16]([cH:21]1)[O:17][CH2:18][CH2:19][O:20]2.[NH2:1][N:2]1[CH2:3][CH2:4][N:5]([CH3:8])[CH2:6][CH2:7]1.[OH2:25]>>[NH:1]([N:2]1[CH2:3][CH2:4][N:5]([CH3:8])[CH2:6][CH2:7]1)[C:22]([c:14]1[cH:13][c:12]([N+:9](=[O:10])[O-:11])[cH:21][c:16]2[c:15]1[O:20][CH2:19][CH2:18][O:17]2)=[O:23]

Participants

5

Reactant 4

HCID 962WaterHCID 6569Methyl Ethyl KetoneHCID 813491-Amino-4-methylpiperazineHCID 205447457-Nitro-1,4-benzodioxane-5-carbonyl chloride

Product 1

HCID 20544699N-(4-methyl-1-piperazinyl)-7-nitro-1,4-benzodioxane-5-carboxamide

Sources & evidence

ORD record
ord-dffe532b53f5419984b4d65079a30352
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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