6-[3-[[4-[2-[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]ethyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide → 6-[3-[[[3-[2-[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzoyl]-methylamino]methyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

HRID 2146924Notes

Reaction equation

HRID 2146924 reaction equation
[CH2:1]([O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]([OH:8])[CH2:9][NH:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([NH:17][C:18]([c:19]3[cH:20][c:21]([S:22]([c:23]4[cH:24][c:25]5[c:26]([c:27]([CH3:28])[cH:29]4)[n:30][cH:31][c:32]([C:33]([NH2:34])=[O:35])[c:36]5[NH:37][c:38]4[cH:39][cH:40][cH:41][c:42]([O:43][CH3:44])[cH:45]4)(=[O:46])=[O:47])[cH:48][cH:49][cH:50]3)=[O:51])[cH:52][cH:53]2)[c:54]2[c:55]1[nH:56][c:57](=[O:58])[cH:59][cH:60]2)[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH2:67]([c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[O:74][c:75]1[cH:76][cH:77][c:78]([CH:86]([CH2:87][NH:88][C:89]([CH2:90][c:91]2[cH:92][c:93]([C:94](=[O:95])[N:96]([CH3:97])[CH2:98][c:99]3[cH:100][c:101]([S:105](=[O:106])(=[O:107])[c:108]4[cH:109][c:110]5[c:111]([NH:122][c:123]6[cH:124][c:125]([O:129][CH3:130])[cH:126][cH:127][cH:128]6)[c:112]([C:119](=[O:120])[NH2:121])[cH:113][n:114][c:115]5[c:116]([CH3:118])[cH:117]4)[cH:102][cH:103][cH:104]3)[cH:131][cH:132][cH:133]2)([CH3:134])[CH3:135])[O:136][Si:137]([C:138]([CH3:139])([CH3:140])[CH3:141])([CH3:142])[CH3:143])[c:79]2[cH:80][cH:81][c:82](=[O:85])[nH:83][c:84]12>>[CH2:67]([c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[O:74][c:75]1[cH:76][cH:77][c:78]([CH:86]([CH2:87][NH:88][C:89]([CH2:90][c:91]2[cH:92][c:93]([C:94](=[O:95])[N:96]([CH3:97])[CH2:98][c:99]3[cH:100][c:101]([S:105](=[O:106])(=[O:107])[c:108]4[cH:109][c:110]5[c:111]([NH:122][c:123]6[cH:124][c:125]([O:129][CH3:130])[cH:126][cH:127][cH:128]6)[c:112]([C:119](=[O:120])[NH2:121])[cH:113][n:114][c:115]5[c:116]([CH3:118])[cH:117]4)[cH:102][cH:103][cH:104]3)[cH:131][cH:132][cH:133]2)([CH3:134])[CH3:135])[OH:136])[c:79]2[cH:80][cH:81][c:82](=[O:85])[nH:83][c:84]12

Participants

3

Reactant 2

HCID 872263616-[3-[[4-[2-[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]ethyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamideHCID 872264046-[3-[[[3-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzoyl]-methylamino]methyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

Product 1

HCID 872263456-[3-[[[3-[2-[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzoyl]-methylamino]methyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

Sources & evidence

ORD record
ord-769d4321374641e2897112c1943a9775
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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