Acetonitrile → 3-Quinolinecarboxylic acid, 7-(3-((ethylamino)methyl)-1-pyrrolidinyl)-6,8-difluoro-1,4-dihydro-1-(1-methylcyclopropyl)-4-oxo-

HRID 122878Notes

Reaction equation

HRID 122878 reaction equation
[CH2:22]([CH3:23])[NH:24][CH2:25][CH:26]1[CH2:27][NH:28][CH2:29][CH2:30]1.[CH3:31][C:32]#[N:33].[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:21])[c:6]([C:18](=[O:19])[OH:20])[cH:7][n:8]([C:14]3([CH3:17])[CH2:15][CH2:16]3)[c:9]2[c:10]([F:13])[c:11]1[F:12]>>[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:21])[c:6]([C:18](=[O:19])[OH:20])[cH:7][n:8]([C:14]3([CH3:17])[CH2:15][CH2:16]3)[c:9]2[c:10]([F:13])[c:11]1[N:28]1[CH2:27][CH:26]([CH2:25][NH:24][CH2:22][CH3:23])[CH2:30][CH2:29]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 13491786Ethyl-pyrrolidin-3-ylmethyl-amineHCID 137728296,7,8-Trifluoro-1,4-dihydro-1-(1-methylcyclopropyl)-4-oxo-3-quinolinecarboxylic acid

Product 1

HCID 4655723-Quinolinecarboxylic acid, 7-(3-((ethylamino)methyl)-1-pyrrolidinyl)-6,8-difluoro-1,4-dihydro-1-(1-methylcyclopropyl)-4-oxo-

Sources & evidence

ORD record
ord-e32608c2723d44e18aa98ddec561bc02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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