Pyridine → HCID 14839362, 화합물

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

참가 물질

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HCID 1049Pyridine

HCID 4831697-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HCID 19763545HCID 19763545, 화합물

생성물 1

HCID 14839362HCID 14839362, 화합물

출처 및 근거

ORD 기록: ord-23e478f435bb43eeacff63b7bead0ad4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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