Acrylonitrile → HCID 13337948, compound

HRID 690226Notes

Reaction equation

HRID 690226 reaction equation
[CH2:26]=[CH:27][C:28]#[N:29].[CH:1]1([n:4]2[cH:5][c:6]([C:23](=[O:24])[OH:25])[c:7](=[O:22])[c:8]3[cH:9][c:10]([F:21])[c:11]([N:14]4[CH2:15][CH:16]([CH3:20])[NH:17][CH2:18][CH2:19]4)[cH:12][c:13]23)[CH2:2][CH2:3]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:23](=[O:24])[OH:25])[c:7](=[O:22])[c:8]3[cH:9][c:10]([F:21])[c:11]([N:14]4[CH2:15][CH:16]([CH3:20])[N:17]([CH2:26][CH2:27][C:28]#[N:29])[CH2:18][CH2:19]4)[cH:12][c:13]23)[CH2:2][CH2:3]1

Participants

3

Reactant 2

HCID 7855AcrylonitrileHCID 1852361-Cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Product 1

HCID 13337948HCID 13337948, compound

Sources & evidence

ORD record
ord-ab86edd3be9245d2b61a61c0a11c38c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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