HRID1137975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID28179

Fluoride

F-

HCID2773480

4-Isopropylphenylboronic acid

C9H13BO2

结构：COC(=O)CCNC(=O)c1ccc(OC(CCCC(C)C)c2ccc(Br)c(C)c2)cc1

HCID67341982

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCNC(=O)c1ccc(OC(CCCC(C)C)c2ccc(-c3ccc(C(C)C)cc3)c(C)c2)cc1

HCID67343278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8af885dcf58c429f9390029fc377662e
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

[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH:15]([CH2:16][CH2:17][CH2:18][CH:19]([CH3:20])[CH3:21])[c:22]2[cH:23][c:24]([CH3:29])[c:25]([Br:28])[cH:26][cH:27]2)[cH:12][cH:13]1)=[O:30])=[O:31].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH:32]([CH3:33])([CH3:34])[c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[F-:44].[K+:45]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH:15]([CH2:16][CH2:17][CH2:18][CH:19]([CH3:20])[CH3:21])[c:22]2[cH:23][c:24]([CH3:29])[c:25](-[c:38]3[cH:37][cH:36][c:35]([CH:32]([CH3:33])[CH3:34])[cH:40][cH:39]3)[cH:26][cH:27]2)[cH:12][cH:13]1)=[O:30])=[O:31]