HRID1116235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID22164283

未命名化合物

结构：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1

HCID76598402

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：C=C(C)c1cccc(-c2ccc(C(F)(F)F)cc2CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)n1

HCID178438996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd77316369fe461388f62a462a0eed3c
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

[Br:1][c:2]1[n:3][c:4]([C:8](=[CH2:9])[CH3:10])[cH:5][cH:6][cH:7]1.[C:58](=[O:59])([O-:60])[O-:61].[CH3:141][CH2:142][OH:143].[CH3:52][O:53][CH2:54][CH2:55][O:56][CH3:57].[F:11][C:12]([c:13]1[cH:14][c:15]([CH:23]2[CH:24]([CH3:49])[N:25]([CH2:29][c:30]3[c:31]([B:40]4[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]4)[cH:32][cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]3)[C:26](=[O:28])[O:27]2)[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1)([F:50])[F:51].[Na+:62].[Na+:63].[cH:64]1[cH:65][cH:66][c:67]([P:68]([Pd:69]([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[P:108]([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)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)([c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[cH:139][cH:140]1>>[c:2]1(-[c:31]2[c:30]([CH2:29][N:25]3[CH:24]([CH3:49])[CH:23]([c:15]4[cH:14][c:13]([C:12]([F:11])([F:50])[F:51])[cH:18][c:17]([C:19]([F:20])([F:21])[F:22])[cH:16]4)[O:27][C:26]3=[O:28])[cH:35][c:34]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:32]2)[n:3][c:4]([C:8](=[CH2:9])[CH3:10])[cH:5][cH:6][cH:7]1