HRID1136315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

结构：Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1Br

HCID70654595

未命名化合物

结构：CC1(C)CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc21

HCID70655261

1(2H)-Isoquinolinone, 3,4-dihydro-4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

C17H24BNO3

PRODUCTS

生成物

结构：CC1(C)CNC(=O)c2ccc(-c3cc(-c4ccc(S(=O)(=O)NC5CC5)cc4)cnc3N)cc21

HCID70655146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db6707938d054934867d40d2ffd97882
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BrH:1].[CH3:23][C:24]1([CH3:44])[CH2:25][NH:26][C:27](=[O:43])[c:28]2[cH:29][cH:30][c:31]([B:34]3[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]3)[cH:32][c:33]21.[NH2:2][c:3]1[c:4]([Br:22])[cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]3[CH2:20][CH2:21]3)[cH:13][cH:14]2)[cH:7][n:8]1>>[NH2:2][c:3]1[c:4](-[c:31]2[cH:30][cH:29][c:28]3[c:33]([cH:32]2)[C:24]([CH3:23])([CH3:44])[CH2:25][NH:26][C:27]3=[O:43])[cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]3[CH2:20][CH2:21]3)[cH:13][cH:14]2)[cH:7][n:8]1