Acetonitrile → 8-Chloro-1-cyclopropyl-6-fluoro-7-[3-(2-fluoroethyl)aminomethyl-1-pyrrolidinyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 98359418-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HCID 143077563-(2-Fluoroethylaminomethyl)pyrrolidine

생성물 1

HCID 139338088-Chloro-1-cyclopropyl-6-fluoro-7-[3-(2-fluoroethyl)aminomethyl-1-pyrrolidinyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

출처 및 근거

ORD 기록: ord-f082c0500bb3474291c06682e86aab52
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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