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Toluene → 5-chloro-N-({[7-(cyclohexylamino)-6-fluoro-1-isopropyl-4-oxo-1,4-dihydroquinolin-3-yl]amino}carbonyl)thiophene-2-sulfonamide

HRID 196170
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인쇄 미리보기

반응식

HRID 196170 반응식
[CH2:1]([O:2][C:4]([NH:5][S:6](=[O:7])(=[O:8])[c:9]1[s:10][c:11]([Cl:14])[cH:12][cH:13]1)=[O:15])[CH3:3].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[NH2:16][c:17]1[cH:18][n:19]([CH:36]([CH3:37])[CH3:38])[c:20]2[cH:21][c:22]([NH:29][CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[c:23]([F:28])[cH:24][c:25]2[c:26]1=[O:27]>>[C:4]([NH:5][S:6](=[O:7])(=[O:8])[c:9]1[s:10][c:11]([Cl:14])[cH:12][cH:13]1)(=[O:15])[NH:16][c:17]1[cH:18][n:19]([CH:36]([CH3:37])[CH3:38])[c:20]2[cH:21][c:22]([NH:29][CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[c:23]([F:28])[cH:24][c:25]2[c:26]1=[O:27]
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참가 물질

4

반응물 3

HCID 1140TolueneHCID 24778122Ethyl ((5-chlorothiophen-2-yl)sulfonyl)carbamateHCID 666370233-amino-7-(cyclohexylamino)-6-fluoro-1-isopropylquinolin-4(1H)-one

생성물 1

HCID 666369105-chloro-N-({[7-(cyclohexylamino)-6-fluoro-1-isopropyl-4-oxo-1,4-dihydroquinolin-3-yl]amino}carbonyl)thiophene-2-sulfonamide

출처 및 근거

ORD 기록
ord-8122c6c9d69042efa3f30061b3d5c948
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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