N-cyclopropyl-3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide → N-Cyclopropyl-3-fluoro-5-(4-formyl-2-(4-(methylsulfonyl)benzyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzamide

반응식

[Br:1][c:2]1[cH:3][c:4]2[c:5]([CH:24]=[O:25])[cH:6][n:7]([CH2:13][c:14]3[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[CH3:23])[cH:18][cH:19]3)[c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[CH:26]1([NH:29][C:30]([c:31]2[cH:32][c:33]([F:47])[c:34]([CH3:46])[c:35]([B:37]3[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]3)[cH:36]2)=[O:48])[CH2:27][CH2:28]1>>[c:2]1(-[c:35]2[c:34]([CH3:46])[c:33]([F:47])[cH:32][c:31]([C:30]([NH:29][CH:26]3[CH2:27][CH2:28]3)=[O:48])[cH:36]2)[cH:3][c:4]2[c:5]([CH:24]=[O:25])[cH:6][n:7]([CH2:13][c:14]3[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[CH3:23])[cH:18][cH:19]3)[c:8](=[O:12])[c:9]2[cH:10][cH:11]1

참가 물질

반응물 2

HCID 21914563N-cyclopropyl-3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

HCID 57551827HCID 57551827, 화합물

생성물 1

HCID 57551746N-Cyclopropyl-3-fluoro-5-(4-formyl-2-(4-(methylsulfonyl)benzyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzamide

출처 및 근거

ORD 기록: ord-f210b83fb0a0406ab00c3583e3450c50
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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