4-(4-Hydroxyphenyl)thiophene-3-carbonitrile → (E)-methyl 5-(5-(4-cyanothiophen-3-yl)-2-hydroxybenzyl)-2-(8-(3-((2-(trimethylsilyl)ethoxy)methyl)benzo[d]thiazol-2(3H)-ylidenecarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylate

HRID 296848Notes

Reaction equation

HRID 296848 reaction equation
[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].[OH:133][c:134]1[cH:135][cH:136][c:137](-[c:140]2[c:141]([C:145]#[N:146])[cH:142][s:143][cH:144]2)[cH:138][cH:139]1.[OH:92][CH2:93][c:94]1[c:95]([C:129](=[O:130])[O:131][CH3:132])[n:96][c:97]([N:99]2[CH2:100][c:101]3[c:102]([C:109]([N:110]=[c:111]4[s:112][c:113]5[c:114]([n:115]4[CH2:116][O:117][CH2:118][CH2:119][Si:120]([CH3:121])([CH3:122])[CH3:123])[cH:124][cH:125][cH:126][cH:127]5)=[O:128])[cH:103][cH:104][cH:105][c:106]3[CH2:107][CH2:108]2)[s:98]1>>[CH2:93]([c:94]1[c:95]([C:129](=[O:130])[O:131][CH3:132])[n:96][c:97]([N:99]2[CH2:100][c:101]3[c:102]([C:109]([N:110]=[c:111]4[s:112][c:113]5[c:114]([n:115]4[CH2:116][O:117][CH2:118][CH2:119][Si:120]([CH3:121])([CH3:122])[CH3:123])[cH:124][cH:125][cH:126][cH:127]5)=[O:128])[cH:103][cH:104][cH:105][c:106]3[CH2:107][CH2:108]2)[s:98]1)[c:139]1[c:134]([OH:133])[cH:135][cH:136][c:137](-[c:140]2[c:141]([C:145]#[N:146])[cH:142][s:143][cH:144]2)[cH:138]1

Participants

5

Reactant 4

HCID 594475724-(4-Hydroxyphenyl)thiophene-3-carbonitrileHCID 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 59447664(E)-methyl 5-(hydroxymethyl)-2-(8-(3-((2-(trimethylsilyl)ethoxy)methyl)benzo[d]thiazol-2(3H)-ylidenecarbamoyl)-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 59447680(E)-methyl 5-(5-(4-cyanothiophen-3-yl)-2-hydroxybenzyl)-2-(8-(3-((2-(trimethylsilyl)ethoxy)methyl)benzo[d]thiazol-2(3H)-ylidenecarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylate

Sources & evidence

ORD record
ord-64f098262752407489d997f9fa980288
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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