Water → (4-(4-Nitro-3-(propylamino)phenyl)piperazin-1-yl)(phenyl)methanone

HRID 125892

Reaction equation

HRID 125892 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([N+:12](=[O:13])[O-:14])[c:6]([NH:8][CH2:9][CH2:10][CH3:11])[cH:7]1.[CH3:30][N:31]1[CH2:32][CH2:33][CH2:34][C:35]1=[O:36].[OH2:29].[c:15]1([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[c:2]1([N:26]2[CH2:25][CH2:24][N:23]([C:21]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)=[O:22])[CH2:28][CH2:27]2)[cH:3][cH:4][c:5]([N+:12](=[O:13])[O-:14])[c:6]([NH:8][CH2:9][CH2:10][CH3:11])[cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 7626541-BenzoylpiperazineHCID 584256215-bromo-2-nitro-N-propylbenzenamine

Product 1

HCID 58425662(4-(4-Nitro-3-(propylamino)phenyl)piperazin-1-yl)(phenyl)methanone

Sources & evidence

ORD record
ord-707f4ec9a8ba4e34b1a83c49b8dba6a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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