Acetic Acid → Ethyl 5-amino-1-(6-amino-3,5-difluoropyridin-2-yl)-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

반응식

[CH3:37][C:38](=[O:39])[OH:40].[NH2:1][c:2]1[c:3]([F:36])[cH:4][c:5]([F:35])[c:6](-[n:8]2[cH:9][c:10]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[c:11](=[O:29])[c:12]3[c:13]([NH:21][CH2:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[c:14]([F:20])[c:15]([F:19])[c:16]([F:18])[c:17]23)[n:7]1>>[NH2:1][c:2]1[c:3]([F:36])[cH:4][c:5]([F:35])[c:6](-[n:8]2[cH:9][c:10]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[c:11](=[O:29])[c:12]3[c:13]([NH2:21])[c:14]([F:20])[c:15]([F:19])[c:16]([F:18])[c:17]23)[n:7]1

참가 물질

반응물 2

HCID 176Acetic Acid

HCID 22121167Ethyl 1-(6-amino-3,5-difluoropyridin-2-yl)-5-benzylamino-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

생성물 1

HCID 22121240Ethyl 5-amino-1-(6-amino-3,5-difluoropyridin-2-yl)-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

출처 및 근거

ORD 기록: ord-3c172523fbfd4cfa814ae9f9ac8f88fc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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