HRID311806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID46738967

{3-[(2,2-Dimethylpropoxy)sulfonyl]phenyl}boronic acid

C11H17BO5S

结构：FC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(Br)c3)n2)cc1

HCID57468727

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)COS(=O)(=O)c1cccc(-c2cccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)c2)c1

HCID57468844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de72600fa9f14e99b4483c703488b7ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10](-[c:18]3[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]3)[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[n:13]2)[cH:5][cH:6][cH:7]1.[CH3:28][C:29]([CH2:30][O:31][S:32](=[O:33])(=[O:34])[c:35]1[cH:36][c:37]([B:41]([OH:42])[OH:43])[cH:38][cH:39][cH:40]1)([CH3:44])[CH3:45]>>[c:2]1(-[c:37]2[cH:36][c:35]([S:32]([O:31][CH2:30][C:29]([CH3:28])([CH3:44])[CH3:45])(=[O:33])=[O:34])[cH:40][cH:39][cH:38]2)[cH:3][c:4](-[c:8]2[n:9][c:10](-[c:18]3[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]3)[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[n:13]2)[cH:5][cH:6][cH:7]1