HRID286606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(CCC#N)cc2CC(C)C)cc1CC(C)C

HCID22565253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56ad9bc43e21491da2180a17291e495a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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]([CH:24]([CH3:25])[CH3:26])[c:27]1[cH:28][c:29]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:30][cH:31][c:32]1[O:33][CH3:34].[CH3:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[CH3:53][CH2:54][OH:55].[Cl:44][CH2:45][Cl:46].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([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)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([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)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([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)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]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:29]2[cH:28][c:27]([CH2:23][CH:24]([CH3:25])[CH3:26])[c:32]([O:33][CH3:34])[cH:31][cH:30]2)[cH:9][cH:10]1