HRID109962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID21884954

未命名化合物

结构：Cc1nnc(-c2ccc3occ(-c4ccc(OS(=O)(=O)C(F)(F)F)cc4)c3c2)o1

HCID86640046

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：COP(=O)(OC)c1ccc(-c2coc3ccc(-c4nnc(C)o4)cc23)cc1

HCID44481474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ddba949628748bfa25a23268bb146c8
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

[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[cH:14][o:15][c:16]3[c:17]2[cH:18][c:19](-[c:22]2[o:23][c:24]([CH3:27])[n:25][n:26]2)[cH:20][cH:21]3)[cH:11][cH:12]1)(=[O:28])=[O:29].[P:30]([O:31][CH3:32])([O:33][CH3:34])[O-:35].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([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)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([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)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[P:102]([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)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[c:7]1([P:30]([O:31][CH3:32])([O:33][CH3:34])=[O:35])[cH:8][cH:9][c:10](-[c:13]2[cH:14][o:15][c:16]3[c:17]2[cH:18][c:19](-[c:22]2[o:23][c:24]([CH3:27])[n:25][n:26]2)[cH:20][cH:21]3)[cH:11][cH:12]1