HRID1138419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)C1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

HCID53217182

Ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate

C18H25BO4

结构：Cc1noc(-c2ccc(Br)cc2)c1C(O)CSCc1cccc(C(F)(F)F)c1

HCID66577288

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C(O)CSCc4cccc(C(F)(F)F)c4)cc3)cc2)CC1

HCID66577297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d360998b1f1439381cf652e34963a12
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

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH:14]([CH2:15][S:16][CH2:17][c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)[OH:28])[c:10]([CH3:13])[n:11][o:12]2)[cH:6][cH:7]1.[CH2:29]([CH3:30])[O:31][C:32](=[O:33])[C:34]1([c:37]2[cH:38][cH:39][c:40]([B:43]3[O:44][C:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51]3)[cH:41][cH:42]2)[CH2:35][CH2:36]1>>[c:2]1(-[c:40]2[cH:39][cH:38][c:37]([C:34]3([C:32]([O:31][CH2:29][CH3:30])=[O:33])[CH2:35][CH2:36]3)[cH:42][cH:41]2)[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH:14]([CH2:15][S:16][CH2:17][c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)[OH:28])[c:10]([CH3:13])[n:11][o:12]2)[cH:6][cH:7]1