HRID85997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

结构：CC(C)c1cc(B(O)O)c(OCC(F)(F)F)c(C(C)C)c1

HCID11098723

未命名化合物

HCID17952706

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1cc2c(-c3cc(C(C)C)cc(C(C)C)c3OCC(F)(F)F)cccc2s1

HCID17952770

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01c5c0cd8623444b9c08bba2a44cc99b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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