HRID162352

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID311

Citric acid

C6H8O7

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2734656

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C11H16BNO2

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：O=C(OCc1ccccc1)c1ccc(Cl)cc1OCc1ccccc1

HCID66989997

未命名化合物

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)c1ccc(-c2cccnc2)cc1OCc1ccccc1

HCID66990951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdfedccc1e25457b946de6a2e91a6f73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:53]([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[O:60][c:61]1[c:62]([C:63](=[O:64])[O:65][CH2:66][c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][c:75]([Cl:77])[cH:76]1.[CH3:100][CH2:101][O:102][C:103](=[O:104])[CH3:105].[CH3:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][n:11][cH:12][cH:13][cH:14]2)[O:15]1.[CH:24]1([P:25]([CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2-[c:38]2[c:39]([O:40][CH3:41])[cH:42][cH:43][cH:44][c:45]2[O:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[K+:21].[K+:22].[K+:23].[O-:92][C:93]([CH3:94])=[O:95].[O-:96][C:97]([CH3:98])=[O:99].[OH:78][C:79]([CH2:80][C:81]([C:82](=[O:83])[OH:84])([CH2:85][C:86](=[O:87])[OH:88])[OH:89])=[O:90].[P:16]([O-:17])([O-:18])([O-:19])=[O:20].[Pd+2:91]>>[c:9]1(-[c:75]2[cH:74][cH:73][c:62]([C:63](=[O:64])[O:65][CH2:66][c:67]3[cH:68][cH:69][cH:70][cH:71][cH:72]3)[c:61]([O:60][CH2:53][c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[cH:76]2)[cH:10][n:11][cH:12][cH:13][cH:14]1