HRID182153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：COC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1C

HCID57422592

Methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

C15H21BO4

HCID57422596

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(-c2ccc(OCCC(C)(C)F)cc2C)c1C

HCID67250088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c247a0b13f7484a902c1cdc789fac7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:15])[cH:4][c:5]([O:8][CH2:9][CH2:10][C:11]([CH3:12])([CH3:13])[F:14])[cH:6][cH:7]1.[C:73]([O-:74])(=[O:75])[CH3:76].[C:78]([O-:79])(=[O:80])[CH3:81].[CH3:16][c:17]1[c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24][cH:25][c:26]1[B:27]1[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]1.[CH3:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[CH:36]1([P:37]([CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2-[c:50]2[c:51]([O:52][CH3:53])[cH:54][cH:55][cH:56][c:57]2[O:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1.[K+:70].[K+:71].[K+:72].[OH2:82].[P:65]([O-:66])([O-:67])([O-:68])=[O:69].[Pd+2:77]>>[c:2]1(-[c:26]2[c:17]([CH3:16])[c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24][cH:25]2)[c:3]([CH3:15])[cH:4][c:5]([O:8][CH2:9][CH2:10][C:11]([CH3:12])([CH3:13])[F:14])[cH:6][cH:7]1