HRID2335625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID21869456

未命名化合物

结构：O=S(=O)(Oc1ccc2c(F)c(OC(F)(F)F)c(F)cc2c1)C(F)(F)F

HCID54265538

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：CCCc1ccc(-c2ccc3c(F)c(OC(F)(F)F)c(F)cc3c2)cc1

HCID21869386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7335c44348e848c49c105927affc62df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:10][B:11]([OH:12])[OH:13])[cH:8][cH:9]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[F:14][C:15]([F:16])([F:17])[S:18]([O:19][c:20]1[cH:21][c:22]2[cH:23][c:24]([F:36])[c:25]([O:31][C:32]([F:33])([F:34])[F:35])[c:26]([F:30])[c:27]2[cH:28][cH:29]1)(=[O:37])=[O:38].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:39].[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>>[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][cH:6][c:7](-[c:20]2[cH:21][c:22]3[cH:23][c:24]([F:36])[c:25]([O:31][C:32]([F:33])([F:34])[F:35])[c:26]([F:30])[c:27]3[cH:28][cH:29]2)[cH:8][cH:9]1