6-((3-((4-(4-((6-((Tert-butyldimethylsilyl)oxy)hexyl)oxy)butyl)phenyl)(methyl)carbamoyl)phenyl)sulfonyl)-4-((3-methoxyphenyl)amino)-8-methylquinoline-3-carboxamide → HCID 66988389, 화합물

반응식

[C:26]([Si:27]([CH3:28])([CH3:29])[O:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][CH2:41][CH2:42][c:43]1[cH:44][cH:45][c:46]([N:49]([C:50](=[O:51])[c:52]2[cH:53][c:54]([S:58](=[O:59])(=[O:60])[c:61]3[cH:62][c:63]4[c:64]([NH:75][c:76]5[cH:77][c:78]([O:82][CH3:83])[cH:79][cH:80][cH:81]5)[c:65]([C:72](=[O:73])[NH2:74])[cH:66][n:67][c:68]4[c:69]([CH3:71])[cH:70]3)[cH:55][cH:56][cH:57]2)[CH3:84])[cH:47][cH:48]1)([CH3:30])([CH3:85])[CH3:86].[N:1]([CH2:2][CH:3]([c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:16]2[c:17]1[cH:18][cH:19][c:20](=[O:21])[nH:22]2)[OH:23])=[N+:24]=[N-:25]>>[OH:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][CH2:41][CH2:42][c:43]1[cH:44][cH:45][c:46]([N:49]([C:50](=[O:51])[c:52]2[cH:53][c:54]([S:58](=[O:59])(=[O:60])[c:61]3[cH:62][c:63]4[c:64]([NH:75][c:76]5[cH:77][c:78]([O:82][CH3:83])[cH:79][cH:80][cH:81]5)[c:65]([C:72](=[O:73])[NH2:74])[cH:66][n:67][c:68]4[c:69]([CH3:71])[cH:70]3)[cH:55][cH:56][cH:57]2)[CH3:84])[cH:47][cH:48]1

참가 물질

반응물 2

HCID 712902826-((3-((4-(4-((6-((Tert-butyldimethylsilyl)oxy)hexyl)oxy)butyl)phenyl)(methyl)carbamoyl)phenyl)sulfonyl)-4-((3-methoxyphenyl)amino)-8-methylquinoline-3-carboxamide

HCID 178514601HCID 178514601, 화합물

생성물 1

HCID 66988389HCID 66988389, 화합물

출처 및 근거

ORD 기록: ord-40c8b11e5ca74b19af80031197418e62
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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