4-((3-Methoxyphenyl)amino)-8-methyl-6-((3-((2-methyl-4-(5-oxopent-1-yn-1-yl)phenyl)carbamoyl)phenyl)sulfonyl)quinoline-3-carboxamide → 6-[3-[[4-[5-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]pent-1-ynyl]-2-methylphenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

HRID 214391Notes

Reaction equation

HRID 214391 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][NH:9][CH2:10][CH2:11][CH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:18]2[cH:19][cH:20][c:21]([NH:22][C:23]([c:24]3[cH:25][c:26]([S:27]([c:28]4[cH:29][c:30]5[c:31]([c:32]([CH3:33])[cH:34]4)[n:35][cH:36][c:37]([C:38]([NH2:39])=[O:40])[c:41]5[NH:42][c:43]4[cH:44][cH:45][cH:46][c:47]([O:48][CH3:49])[cH:50]4)(=[O:51])=[O:52])[cH:53][cH:54][cH:55]3)=[O:56])[cH:57][cH:58]2)[cH:59][cH:60]1)[c:61]1[cH:62][cH:63][c:64]([OH:72])[c:65]2[c:66]1[O:67][CH2:68][C:69](=[O:71])[NH:70]2)([CH3:73])[CH3:74].[CH3:75][O:76][c:77]1[cH:78][c:79]([NH:83][c:84]2[c:85]([C:120](=[O:121])[NH2:122])[cH:86][n:87][c:88]3[c:89]([CH3:119])[cH:90][c:91]([S:94](=[O:95])(=[O:96])[c:97]4[cH:98][c:99]([C:103]([NH:104][c:105]5[c:106]([CH3:117])[cH:107][c:108]([C:111]#[C:112][CH2:113][CH2:114][CH:115]=[O:116])[cH:109][cH:110]5)=[O:118])[cH:100][cH:101][cH:102]4)[cH:92][c:93]23)[cH:80][cH:81][cH:82]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][NH:9][CH2:10][CH2:11][CH2:12][C:112]#[C:111][c:108]1[cH:107][c:106]([CH3:117])[c:105]([NH:104][C:103]([c:99]2[cH:98][c:97]([S:94]([c:91]3[cH:90][c:89]([CH3:119])[c:88]4[n:87][cH:86][c:85]([C:120](=[O:121])[NH2:122])[c:84]([NH:83][c:79]5[cH:78][c:77]([O:76][CH3:75])[cH:82][cH:81][cH:80]5)[c:93]4[cH:92]3)(=[O:95])=[O:96])[cH:102][cH:101][cH:100]2)=[O:118])[cH:110][cH:109]1)[c:61]1[cH:62][cH:63][c:64]([OH:72])[c:65]2[c:66]1[O:67][CH2:68][C:69](=[O:71])[NH:70]2)([CH3:73])[CH3:74]

Participants

3

Reactant 2

HCID 866591194-((3-Methoxyphenyl)amino)-8-methyl-6-((3-((2-methyl-4-(5-oxopent-1-yn-1-yl)phenyl)carbamoyl)phenyl)sulfonyl)quinoline-3-carboxamideHCID 872263366-[3-[[4-[4-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]butyl]phenyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

Product 1

HCID 872265616-[3-[[4-[5-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]pent-1-ynyl]-2-methylphenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

Sources & evidence

ORD record
ord-18f4e6c1d2ab40d68e3f5bc4a59acaa5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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