6-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one → 4-(5-amino-6-(1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazin-2-yl)-N-cyclopropyl-N-methylbenzenesulfonamide

반응식

[CH3:23][C:24]1([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29][B:30]([c:31]2[cH:32][c:33]3[c:38]([cH:39][cH:40]2)[C:37](=[O:41])[NH:36][CH2:35][CH2:34]3)[O:42]1.[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[N:18]([CH3:19])[CH:20]3[CH2:21][CH2:22]3)[cH:13][cH:14]2)[n:6][c:7]1[Br:8]>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[N:18]([CH3:19])[CH:20]3[CH2:21][CH2:22]3)[cH:13][cH:14]2)[n:6][c:7]1-[c:31]1[cH:32][c:33]2[c:38]([cH:39][cH:40]1)[C:37](=[O:41])[NH:36][CH2:35][CH2:34]2

참가 물질

반응물 2

HCID 219556776-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one

HCID 866702144-(5-amino-6-bromopyrazin-2-yl)-N-cyclopropyl-N-methylbenzenesulfonamide

생성물 1

HCID 706549654-(5-amino-6-(1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazin-2-yl)-N-cyclopropyl-N-methylbenzenesulfonamide

출처 및 근거

ORD 기록: ord-ce53efcf092c47f0889571e737e53bf9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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