HRID181776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：CCOC(=O)C(CC(C)C)c1cc(Cl)c(OCC(F)(F)F)c(Br)c1

HCID57995655

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：CCOC(=O)C(CC(C)C)c1cc(Cl)c(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1

HCID57995551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57d841d0b2a445dab34ec0891767bc85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[CH2:21][CH:22]([CH3:23])[CH3:24])[cH:5][c:6]([Cl:14])[c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[Cs+:39].[F-:38].[F:25][C:26]([c:27]1[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1)([F:36])[F:37].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([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)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([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)[cH:121][cH:122]1>>[c:2]1(-[c:30]2[cH:29][cH:28][c:27]([C:26]([F:25])([F:36])[F:37])[cH:32][cH:31]2)[cH:3][c:4]([CH:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[CH2:21][CH:22]([CH3:23])[CH3:24])[cH:5][c:6]([Cl:14])[c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13]