HRID143594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID947

Nitrogen

HCID8071

未命名化合物

HCID4985744

2-Fluoro-3-methoxyphenylboronic acid

C7H8BFO3

结构：Cc1c(Br)c(=O)n(CC(NC(=O)OC(C)(C)C)C2CCCCC2)c(=O)n1Cc1c(F)cccc1F

HCID22037863

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：COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(NC(=O)OC(C)(C)C)C3CCCCC3)c2=O)c1F

HCID178489746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc70a75e21a64b97a4486882848c2110
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3](=[O:35])[n:4]([CH2:19][CH:20]([CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[c:5](=[O:18])[n:6]([CH2:9][c:10]2[c:11]([F:17])[cH:12][cH:13][cH:14][c:15]2[F:16])[c:7]1[CH3:8].[CH3:56][CH2:57][OH:58].[CH3:59][O:60][CH2:61][CH2:62][O:63][CH3:64].[F:36][c:37]1[c:38]([B:45]([OH:46])[OH:47])[cH:39][cH:40][cH:41][c:42]1[O:43][CH3:44].[N:48]#[N:49].[cH:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([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)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[c:2]1(-[c:38]2[c:37]([F:36])[c:42]([O:43][CH3:44])[cH:41][cH:40][cH:39]2)[c:3](=[O:35])[n:4]([CH2:19][CH:20]([CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[c:5](=[O:18])[n:6]([CH2:9][c:10]2[c:11]([F:17])[cH:12][cH:13][cH:14][c:15]2[F:16])[c:7]1[CH3:8]