2-Amino-4-(4-hydroxyphenyl)thiophene-3-carbonitrile → methyl 5-(3-(4-(5-amino-4-cyanothiophen-3-yl)phenoxy)propyl)-2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylate

HRID 184292Notes

Reaction equation

HRID 184292 reaction equation
[NH2:135][c:136]1[s:137][cH:138][c:139](-[c:143]2[cH:144][cH:145][c:146]([OH:149])[cH:147][cH:148]2)[c:140]1[C:141]#[N:142].[NH2:1][c:2]1[n:3]([C:4]([O:5][C:6]([CH3:7])([CH3:8])[CH3:9])=[O:10])[n:11][c:12](-[c:13]2[cH:14][cH:15][c:16]([O:17][CH2:18][c:19]3[cH:20][cH:21][c:22](-[c:23]4[s:24][c:25]([N:26]5[CH2:27][CH2:28][c:29]6[c:30]([c:31]([C:32](=[O:33])[N:34]([c:35]7[s:36][c:37]8[cH:38][cH:39][cH:40][cH:41][c:42]8[n:43]7)[CH2:44][O:45][CH2:46][CH2:47][Si:48]([CH3:49])([CH3:50])[CH3:51])[cH:52][cH:53][cH:54]6)[CH2:55]5)[n:56][c:57]4[C:58]([O:59][CH2:60][CH3:61])=[O:62])[cH:63][cH:64]3)[cH:65][cH:66]2)[c:67]1[C:68]#[N:69].[NH2:70][c:71]1[n:72]([C:73]([O:74][C:75]([CH3:76])([CH3:77])[CH3:78])=[O:79])[n:80][c:81](-[c:82]2[cH:83][cH:84][c:85]([OH:86])[cH:87][cH:88]2)[c:89]1[C:90]#[N:91].[s:92]1[c:93]([N:101]([C:102](=[O:103])[c:104]2[cH:105][cH:106][cH:107][c:108]3[c:113]2[CH2:112][N:111]([c:114]2[s:115][c:116]([CH2:123][CH2:124][CH2:125][OH:126])[c:117]([C:119](=[O:120])[O:121][CH3:122])[n:118]2)[CH2:110][CH2:109]3)[CH2:127][O:128][CH2:129][CH2:130][Si:131]([CH3:132])([CH3:133])[CH3:134])[n:94][c:95]2[c:96]1[cH:97][cH:98][cH:99][cH:100]2>>[s:92]1[c:93]([N:101]([C:102](=[O:103])[c:104]2[cH:105][cH:106][cH:107][c:108]3[c:113]2[CH2:112][N:111]([c:114]2[s:115][c:116]([CH2:123][CH2:124][CH2:125][O:126][c:146]4[cH:145][cH:144][c:143](-[c:139]5[cH:138][s:137][c:136]([NH2:135])[c:140]5[C:141]#[N:142])[cH:148][cH:147]4)[c:117]([C:119](=[O:120])[O:121][CH3:122])[n:118]2)[CH2:110][CH2:109]3)[CH2:127][O:128][CH2:129][CH2:130][Si:131]([CH3:132])([CH3:133])[CH3:134])[n:94][c:95]2[c:96]1[cH:97][cH:98][cH:99][cH:100]2

Participants

5

Reactant 4

HCID 152199602-Amino-4-(4-hydroxyphenyl)thiophene-3-carbonitrileHCID 59447477methyl 2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-hydroxypropyl)thiazole-4-carboxylateHCID 59447596ethyl 5-(4-((4-(5-amino-1-(tert-butoxycarbonyl)-4-cyano-1H-pyrazol-3-yl)phenoxy)methyl)phenyl)-2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylateHCID 136027725tert-butyl 5-amino-4-cyano-3-(4-hydroxyphenyl)-1H-pyrazole-1-carboxylate

Product 1

HCID 59447498methyl 5-(3-(4-(5-amino-4-cyanothiophen-3-yl)phenoxy)propyl)-2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylate

Sources & evidence

ORD record
ord-58eec88f8ad248b9a9d215caef4bb5d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…