HRID155526

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

HCID66577230

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CCSCc4ccccc4)cc3)cc2)CC1

HCID66577365

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e772831c7c148b396211947d42b98dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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