HRID2343973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

结构：CC1(c2ccc3c(-c4ccc(OC(F)(F)F)cc4)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)COC(=O)N1

HCID67412140

未命名化合物

PRODUCTS

生成物

结构：CC1(c2ccc3c(-c4ccc(Cl)cc4)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)COC(=O)N1

HCID67413938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-907820c9de86416b9e878dd850aa31a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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