HRID1554271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4192664

2-Methylpyridine-4-boronic acid

C6H8BNO2

结构：CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4cccc(OC(F)F)c4)c3)nn2c1I

HCID57749431

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4cccc(OC(F)F)c4)c3)nn2c1-c1ccnc(C)c1

HCID44125124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4dd012638474b3a93bee58edb13ec12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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