HRID934747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8071

未命名化合物

结构：CC(C)Cc1cc(CCC#N)ccc1OS(=O)(=O)C(F)(F)F

HCID12134703

未命名化合物

HCID12134708

Boronic acid, [4-methoxy-3-(phenylmethyl)phenyl]-

C14H15BO3

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：COc1ccc(-c2ccc(CCC#N)cc2CC(C)C)cc1Cc1ccccc1

HCID12134710

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66ca62509d674d0086399346bf5c9850
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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