ethyl 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-carboxylate → (E)-methyl 5-((4-(5-amino-1-(tert-butoxycarbonyl)-4-cyano-1H-pyrazol-3-yl)phenoxy)methyl)-2-(8-(3-((2-(trimethylsilyl)ethoxy)methyl)benzo[d]thiazol-2(3H)-ylidenecarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylate

HRID 1551472Notes

Reaction equation

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

Participants

Reactant 2

HCID 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-carboxylate

HCID 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-carboxylate

Product 1

HCID 59447524(E)-methyl 5-((4-(5-amino-1-(tert-butoxycarbonyl)-4-cyano-1H-pyrazol-3-yl)phenoxy)methyl)-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-92ad3081a59d4e80a01ac308d7fe55c7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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