HRID2144308

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21955677

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-1(2H)-one

C15H20BNO3

结构：CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(Br)n2)cc1

HCID86670214

未命名化合物

PRODUCTS

生成物

结构：CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1

HCID70654965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce53efcf092c47f0889571e737e53bf9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[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