ethyl 4-{[({4-oxo-2-[({[2-({3-[1-(triphenylmethyl)-1H-1,2,4-triazol-3-yl]propyl}oxy)pyridin-4-yl]methyl}amino)carbonyl]-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl}methyl)oxy]methyl}benzoate → HCID 178468934, compound

HRID 319934Notes

Reaction equation

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

Participants

Reactant 2

HCID 66769032ethyl 4-{[({4-oxo-2-[({[2-({3-[1-(triphenylmethyl)-1H-1,2,4-triazol-3-yl]propyl}oxy)pyridin-4-yl]methyl}amino)carbonyl]-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl}methyl)oxy]methyl}benzoate

HCID 1363809646-cyano-4-oxo-N-{[3-({3-[1-(triphenylmethyl)-1H-1,2,4-triazol-3-yl]propanoyl}amino)phenyl]methyl}-3,4-dihydroquinazoline-2-carboxamide

Product 1

HCID 178468934HCID 178468934, compound

Sources & evidence

ORD record: ord-bda889f56f8749dd94d0b75bc8acd7ee
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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