HRID2134601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

HCID53399116

2-(5-Chloro-1-penten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H20BClO2

结构：CCOC(=O)c1c(Br)c2cc(F)ccc2n1CCCOc1cccc2ccccc12

HCID67316184

未命名化合物

HCID178476743

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C=CCCCCl)c2cc(F)ccc2n1CCCOc1cccc2ccccc12

HCID91300929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67d22ee4df10497f8d89cc0d81e00040
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[c:3]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[n:4]([CH2:12][CH2:13][CH2:14][O:15][c:16]2[cH:17][cH:18][cH:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[c:5]2[cH:6][cH:7][c:8]([F:11])[cH:9][c:10]12.[C:83]([O:84][Pd:85][O:86][C:87](=[O:88])[CH3:89])(=[O:90])[CH3:91].[CH:46]1([P:47]([CH:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2-[c:60]2[c:61]([O:62][CH3:63])[cH:64][cH:65][cH:66][c:67]2[O:68][CH3:69])[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]1.[Cl:31][CH2:32][CH2:33][CH2:34][CH:35]=[CH:36][B:37]1[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]1.[K+:80].[K+:81].[K+:82].[P:75]([O-:76])([O-:77])([O-:78])=[O:79]>>[c:2]1([CH:36]=[CH:35][CH2:34][CH2:33][CH2:32][Cl:31])[c:3]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[n:4]([CH2:12][CH2:13][CH2:14][O:15][c:16]2[cH:17][cH:18][cH:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[c:5]2[cH:6][cH:7][c:8]([F:11])[cH:9][c:10]12