2-Cyano-3-fluorophenylboronic acid pinacol ester → tert-butyl (1-(4-(8-(2-cyano-3-fluorophenyl)-4-oxo-2-phenyl-4H-pyrano[2,3-c]pyridin-3-yl)phenyl)cyclobutyl)carbamate

HRID 189890

반응식

HRID 189890 반응식
[Cl:38][c:39]1[n:40][cH:41][cH:42][c:43]2[c:44]1[o:45][c:46](-[c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[c:47](-[c:50]1[cH:51][cH:52][c:53]([C:56]3([NH:60][C:61]([O:62][C:63]([CH3:64])([CH3:65])[CH3:66])=[O:67])[CH2:57][CH2:58][CH2:59]3)[cH:54][cH:55]1)[c:48]2=[O:49].[F:74][c:75]1[c:76]([C:77]#[N:78])[c:79]([B:83]2[O:84][C:85]([CH3:86])([CH3:87])[C:88]([CH3:89])([CH3:90])[O:91]2)[cH:80][cH:81][cH:82]1.[NH2:1][C:2]1([c:3]2[cH:4][cH:5][c:6](-[c:7]3[c:8](=[O:9])[c:10]4[c:11]([o:12][c:13]3-[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:20](-[c:21]3[cH:22][n:23][n:24]([CH2:25][CH:26]([CH3:27])[CH3:28])[cH:29]3)[n:30][cH:31][cH:32]4)[cH:33][cH:34]2)[CH2:35][CH2:36][CH2:37]1>>[c:39]1(-[c:79]2[c:76]([C:77]#[N:78])[c:75]([F:74])[cH:82][cH:81][cH:80]2)[n:40][cH:41][cH:42][c:43]2[c:44]1[o:45][c:46](-[c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[c:47](-[c:50]1[cH:51][cH:52][c:53]([C:56]3([NH:60][C:61]([O:62][C:63]([CH3:64])([CH3:65])[CH3:66])=[O:67])[CH2:57][CH2:58][CH2:59]3)[cH:54][cH:55]1)[c:48]2=[O:49]

참가 물질

4

반응물 3

HCID 222736032-Cyano-3-fluorophenylboronic acid pinacol esterHCID 670677673-(4-(1-aminocyclobutyl)phenyl)-8-(1-isobutyl-1H-pyrazol-4-yl)-2-phenyl-4H-pyrano[2,3-c]pyridin-4-oneHCID 86671031tert-Butyl 1-(4-(8-chloro-4-oxo-2-phenyl-4H-pyrano[2,3-c]pyridin-3-yl)phenyl)cyclobutylcarbamate

생성물 1

HCID 86671061tert-butyl (1-(4-(8-(2-cyano-3-fluorophenyl)-4-oxo-2-phenyl-4H-pyrano[2,3-c]pyridin-3-yl)phenyl)cyclobutyl)carbamate

출처 및 근거

ORD 기록
ord-6ff5bf21936848cdb6d9b4dd011b6cfd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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