Acetonitrile → 7-[3-[(Ethylamino)methyl]-1-pyrrolidinyl]-6,8-difluoro-1,4-dihydro-1-(1-methylethyl)-4-oxo-3-quinolinecarboxylic Acid

HRID 287911Notes

Reaction equation

HRID 287911 reaction equation
[CH2:21]([CH3:22])[NH:23][CH2:24][CH:25]1[CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:41][C:42]#[N:43].[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:20])[c:6]([C:17](=[O:18])[OH:19])[cH:7][n:8]([CH:14]([CH3:15])[CH3:16])[c:9]2[c:10]([F:13])[c:11]1[F:12].[N:30]12[CH2:31][CH2:32][CH2:33][N:34]=[C:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2>>[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:20])[c:6]([C:17](=[O:18])[OH:19])[cH:7][n:8]([CH:14]([CH3:15])[CH3:16])[c:9]2[c:10]([F:13])[c:11]1[N:27]1[CH2:26][CH:25]([CH2:24][NH:23][CH2:21][CH3:22])[CH2:29][CH2:28]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 134776926,7,8-Trifluoro-1,4-dihydro-1-isopropyl-4-oxoquinoline-3-carboxylic acidHCID 13491786Ethyl-pyrrolidin-3-ylmethyl-amine

Product 1

HCID 137728147-[3-[(Ethylamino)methyl]-1-pyrrolidinyl]-6,8-difluoro-1,4-dihydro-1-(1-methylethyl)-4-oxo-3-quinolinecarboxylic Acid

Sources & evidence

ORD record
ord-176397c5e51e4db3b849858199574dc2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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