HRID1235373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

HCID59342549

未命名化合物

HCID59342589

未命名化合物

PRODUCTS

生成物

结构：CSCCCOc1cc(C)c(-c2cc(C=O)ccc2Oc2ccccc2)c(C)c1

HCID59342607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-859b22ecdf7d4320a95e4dda9fe5b55f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH:5]=[O:6])[cH:7][cH:8][c:9]1[O:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[CH3:17][c:18]1[c:19]([B:31]([OH:32])[OH:33])[c:20]([CH3:30])[cH:21][c:22]([O:24][CH2:25][CH2:26][CH2:27][S:28][CH3:29])[cH:23]1.[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[CH:34]1([P:35]([CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2-[c:48]2[c:49]([O:50][CH3:51])[cH:52][cH:53][cH:54][c:55]2[O:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[K+:68].[K+:69].[K+:70].[O:105]=[C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)[CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[O:123]=[C:124]([CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1)[CH:133]=[CH:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[OH2:78].[P:63]([O-:64])([O-:65])([O-:66])=[O:67].[Pd:85].[Pd:86]>>[c:2]1(-[c:19]2[c:18]([CH3:17])[cH:23][c:22]([O:24][CH2:25][CH2:26][CH2:27][S:28][CH3:29])[cH:21][c:20]2[CH3:30])[cH:3][c:4]([CH:5]=[O:6])[cH:7][cH:8][c:9]1[O:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1