1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole → (1-{4-[8-(1-Methyl-1H-pyrazol-4-yl)-4-oxo-2-phenyl-4H-pyrano[2,3-c]pyridin-3-yl]-phenyl}-cyclobutyl)-carbamic acid tert-butyl ester

HRID 702363

반응식

HRID 702363 반응식
[C:1]([O:2][C:3](=[O:4])[NH:5][C:6]1([c:7]2[cH:8][cH:9][c:10](-[c:11]3[c:12](=[O:13])[c:14]4[c:15]([cH:16][c:17](-[c:18]5[nH:19][n:20][cH:21][cH:22]5)[cH:23][cH:24]4)[o:25][c:26]3-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:33][cH:34]2)[CH2:35][CH2:36][CH2:37]1)([CH3:38])([CH3:39])[CH3:40].[C:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46]([NH:47][C:48]1([c:52]2[cH:53][cH:54][c:55](-[c:58]3[c:59](=[O:75])[c:60]4[c:61]([c:62]([Cl:66])[n:63][cH:64][cH:65]4)[o:67][c:68]3-[c:69]3[cH:70][cH:71][cH:72][cH:73][cH:74]3)[cH:56][cH:57]2)[CH2:49][CH2:50][CH2:51]1)=[O:76].[CH3:77][n:78]1[n:79][cH:80][c:81]([B:83]2[O:84][C:85]([CH3:86])([CH3:87])[C:88]([CH3:89])([CH3:90])[O:91]2)[cH:82]1>>[C:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46]([NH:47][C:48]1([c:52]2[cH:53][cH:54][c:55](-[c:58]3[c:59](=[O:75])[c:60]4[c:61]([c:62](-[c:81]5[cH:80][n:79][n:78]([CH3:77])[cH:82]5)[n:63][cH:64][cH:65]4)[o:67][c:68]3-[c:69]3[cH:70][cH:71][cH:72][cH:73][cH:74]3)[cH:56][cH:57]2)[CH2:49][CH2:50][CH2:51]1)=[O:76]

참가 물질

4

반응물 3

HCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 67067641(1-{4-[4-oxo-2-phenyl-7-(2H-pyrazol-3-yl)-4H-chromen-3-yl)-phenyl]-cyclobutyl}-carbamic acid tert-butyl esterHCID 86671031tert-Butyl 1-(4-(8-chloro-4-oxo-2-phenyl-4H-pyrano[2,3-c]pyridin-3-yl)phenyl)cyclobutylcarbamate

생성물 1

HCID 67067911(1-{4-[8-(1-Methyl-1H-pyrazol-4-yl)-4-oxo-2-phenyl-4H-pyrano[2,3-c]pyridin-3-yl]-phenyl}-cyclobutyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-73ce011929644d47ab82d595eff05e99
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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