HRID663479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：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

反应SMILES：Cc1noc(-c2ccc(Br)cc2)c1NC(C)CCc1ccc(Cl)cc1

HCID66577356

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(C)CCc4ccc(Cl)cc4)cc3)cc2)CC1

HCID66578462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-53fcfa612a72419980d4e04a57f28c02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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