tert-butyl 5-amino-4-cyano-3-(3-hydroxyphenyl)-1H-pyrazole-1-carboxylate → ethyl 5-(4-((3-(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
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][CH2:19][c:20]3[cH:21][cH:22][c:23](-[c:26]4[c:27]([C:61](=[O:62])[O:63][CH2:64][CH3:65])[n:28][c:29]([N:31]5[CH2:32][c:33]6[c:34]([C:41]([N:42]([CH2:43][O:44][CH2:45][CH2:46][Si:47]([CH3:48])([CH3:49])[CH3:50])[c:51]7[s:52][c:53]8[c:54]([n:55]7)[cH:56][cH:57][cH:58][cH:59]8)=[O:60])[cH:35][cH:36][cH:37][c:38]6[CH2:39][CH2:40]5)[s:30]4)[cH:24][cH:25]3)[cH:18][cH:66]2)[c:67]1[C:68]#[N:69].[NH2:70][c:71]1[c:72]([C:90]#[N:91])[c:73](-[c:83]2[cH:84][c:85]([OH:89])[cH:86][cH:87][cH:88]2)[n:74][n:75]1[C:76](=[O:77])[O:78][C:79]([CH3:80])([CH3:81])[CH3:82]>>[CH2:19]([c:20]1[cH:21][cH:22][c:23](-[c:26]2[c:27]([C:61](=[O:62])[O:63][CH2:64][CH3:65])[n:28][c:29]([N:31]3[CH2:32][c:33]4[c:34]([C:41]([N:42]([CH2:43][O:44][CH2:45][CH2:46][Si:47]([CH3:48])([CH3:49])[CH3:50])[c:51]5[s:52][c:53]6[c:54]([n:55]5)[cH:56][cH:57][cH:58][cH:59]6)=[O:60])[cH:35][cH:36][cH:37][c:38]4[CH2:39][CH2:40]3)[s:30]2)[cH:24][cH:25]1)[O:89][c:85]1[cH:84][c:83](-[c:73]2[c:72]([C:90]#[N:91])[c:71]([NH2:70])[n:75]([C:76](=[O:77])[O:78][C:79]([CH3:80])([CH3:81])[CH3:82])[n:74]2)[cH:88][cH:87][cH:86]1Participants
3
Reactant 2
HCID 59447530tert-butyl 5-amino-4-cyano-3-(3-hydroxyphenyl)-1H-pyrazole-1-carboxylate
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-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-2ade16291e5749a39fa476115c81db3a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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