4-[(3-Methoxyphenyl)amino]-8-methyl-6-[[3-[[4-(5-oxopentyl)phenyl]carbamoyl]phenyl]sulfonyl]quinoline-3-carboxamide → 6-[3-[[4-[5-[[2-[3-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyphenyl]-2-hydroxyethyl]amino]pentyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

HRID 2142669노트

반응식

[C:1]([Si:2]([CH3:3])([CH3:4])[O:5][CH:6]([c:7]1[cH:8][cH:9][c:10]([OH:11])[c:12]2[c:13]1[cH:14][cH:15][c:16](=[O:17])[nH:18]2)[CH2:19][NH:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][NH:29][C:30]([c:31]1[cH:32][c:33]([S:34]([c:35]2[cH:36][c:37]3[c:38]([c:39]([CH3:40])[cH:41]2)[n:42][cH:43][c:44]([C:45]([NH2:46])=[O:47])[c:48]3[NH:49][c:50]2[cH:51][cH:52][cH:53][c:54]([O:55][CH3:56])[cH:57]2)(=[O:58])=[O:59])[cH:60][cH:61][cH:62]1)=[O:63])([CH3:64])([CH3:65])[CH3:66].[CH3:87][O:88][c:89]1[cH:90][c:91]([NH:95][c:96]2[c:97]([C:131](=[O:132])[NH2:133])[cH:98][n:99][c:100]3[c:101]([CH3:130])[cH:102][c:103]([S:106](=[O:107])(=[O:108])[c:109]4[cH:110][c:111]([C:115]([NH:116][c:117]5[cH:118][cH:119][c:120]([CH2:123][CH2:124][CH2:125][CH2:126][CH:127]=[O:128])[cH:121][cH:122]5)=[O:129])[cH:112][cH:113][cH:114]4)[cH:104][c:105]23)[cH:92][cH:93][cH:94]1.[NH2:67][CH2:68][CH:69]([OH:70])[c:71]1[cH:72][c:73]([CH2:78][O:79][Si:80]([CH3:81])([CH3:82])[C:83]([CH3:84])([CH3:85])[CH3:86])[c:74]([OH:77])[cH:75][cH:76]1>>[NH:67]([CH2:68][CH:69]([OH:70])[c:71]1[cH:72][c:73]([CH2:78][O:79][Si:80]([CH3:81])([CH3:82])[C:83]([CH3:84])([CH3:85])[CH3:86])[c:74]([OH:77])[cH:75][cH:76]1)[CH2:127][CH2:126][CH2:125][CH2:124][CH2:123][c:120]1[cH:119][cH:118][c:117]([NH:116][C:115]([c:111]2[cH:110][c:109]([S:106]([c:103]3[cH:102][c:101]([CH3:130])[c:100]4[n:99][cH:98][c:97]([C:131](=[O:132])[NH2:133])[c:96]([NH:95][c:91]5[cH:90][c:89]([O:88][CH3:87])[cH:94][cH:93][cH:92]5)[c:105]4[cH:104]3)(=[O:107])=[O:108])[cH:114][cH:113][cH:112]2)=[O:129])[cH:122][cH:121]1

참가 물질

반응물 3

HCID 585052434-[(3-Methoxyphenyl)amino]-8-methyl-6-[[3-[[4-(5-oxopentyl)phenyl]carbamoyl]phenyl]sulfonyl]quinoline-3-carboxamide

HCID 669881654-(2-Amino-1-hydroxyethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol

HCID 178490959HCID 178490959, 화합물

생성물 1

HCID 768071196-[3-[[4-[5-[[2-[3-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyphenyl]-2-hydroxyethyl]amino]pentyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

출처 및 근거

ORD 기록: ord-32cf4311fb5442709caed907e5ada6f9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

반응 노트

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