C35H42N4O6S → 17-[8-Ethyl-2-(4-isopropylthiazole-2-yl)-7-methoxyquinolin-4-yl-oxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid

반응식

[CH2:1]([CH3:2])[c:3]1[c:4]([O:22][CH3:23])[cH:5][cH:6][c:7]2[c:8]([OH:21])[cH:9][c:10](-[c:13]3[s:14][cH:15][c:16]([CH:18]([CH3:19])[CH3:20])[n:17]3)[n:11][c:12]12.[CH:24]([c:25]1[n:26][c:27](-[c:28]2[cH:29][c:30]([O:31][CH:43]3[CH2:44][CH:45]4[C:46](=[O:66])[N:47]([CH3:65])[CH2:48][CH2:49][CH2:50][CH2:51][CH:52]=[CH:53][CH:54]5[CH2:55][C:56]5([C:62](=[O:63])[OH:64])[NH:57][C:58](=[O:61])[CH:59]4[CH2:60]3)[c:32]3[c:33]([c:34]([CH3:35])[c:36]([O:37][CH3:38])[cH:39][cH:40]3)[n:41]2)[s:42][cH:67]1)([CH3:68])[CH3:69]>>[CH2:1]([CH3:2])[c:3]1[c:4]([O:22][CH3:23])[cH:5][cH:6][c:7]2[c:8]([O:21][CH:43]3[CH2:44][CH:45]4[C:46](=[O:66])[N:47]([CH3:65])[CH2:48][CH2:49][CH2:50][CH2:51][CH:52]=[CH:53][CH:54]5[CH2:55][C:56]5([C:62](=[O:63])[OH:64])[NH:57][C:58](=[O:61])[CH:59]4[CH2:60]3)[cH:9][c:10](-[c:13]3[s:14][cH:15][c:16]([CH:18]([CH3:19])[CH3:20])[n:17]3)[n:11][c:12]12

참가 물질

반응물 2

HCID 66810935C35H42N4O6S

HCID 178437263HCID 178437263, 화합물

생성물 1

HCID 6687115517-[8-Ethyl-2-(4-isopropylthiazole-2-yl)-7-methoxyquinolin-4-yl-oxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid

출처 및 근거

ORD 기록: ord-1c1ae178a9364f428bfa73303ea64592
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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