HRID1136914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8071

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(-c3ccc(CCC#N)cc3CC(C)C)cc2Cc2ccccc2)cc1CC(C)C

HCID22565242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-502515a1959e40788b9acd990575f7f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10](-[c:22]2[c:23]([CH2:32][CH:33]([CH3:34])[CH3:35])[cH:24][c:25]([CH2:28][CH2:29][C:30]#[N:31])[cH:26][cH:27]2)[cH:11][cH:12][c:13]1[O:14][S:15]([C:16]([F:17])([F:18])[F:19])(=[O:20])=[O:21].[CH2:36]([CH:37]([CH3:38])[CH3:39])[c:40]1[cH:41][c:42]([B:48]2[O:49][C:50]([CH3:51])([CH3:52])[C:53]([CH3:54])([CH3:55])[O:56]2)[cH:43][cH:44][c:45]1[O:46][CH3:47].[CH3:57][O:58][CH2:59][CH2:60][O:61][CH3:62].[CH3:63][CH2:64][OH:65].[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10](-[c:22]2[c:23]([CH2:32][CH:33]([CH3:34])[CH3:35])[cH:24][c:25]([CH2:28][CH2:29][C:30]#[N:31])[cH:26][cH:27]2)[cH:11][cH:12][c:13]1-[c:42]1[cH:41][c:40]([CH2:36][CH:37]([CH3:38])[CH3:39])[c:45]([O:46][CH3:47])[cH:44][cH:43]1