HRID119485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1(C)OB(c2ccc(S(N)(=O)=O)cc2)OC1(C)C

HCID16414190

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

C12H18BNO4S

结构：Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(Br)c1)=N2

HCID67361460

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccc(S(N)(=O)=O)cc3)c1)=N2

HCID25052160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97ccfe6c16a74693bec1d13630731300
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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