HRID145440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID236540

未命名化合物

结构：CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)nc2cc(C(F)(F)F)ccc2c1C

HCID86662682

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：CC=Cc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)OCC

HCID66583794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baa905c722734f2a8bface8ab04ec6cd
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

[C:1](=[O:2])([O-:3])[O-:4].[CH2:125]([OH:126])[CH3:127].[CH2:7]([CH3:8])[O:9][C:10](=[O:11])[c:12]1[c:13]([O:27][S:28]([C:29]([F:30])([F:31])[F:32])(=[O:33])=[O:34])[n:14][c:15]2[cH:16][c:17]([C:23]([F:24])([F:25])[F:26])[cH:18][cH:19][c:20]2[c:21]1[CH3:22].[CH:35](=[CH:36][CH3:37])[B:38]([OH:39])[OH:40].[Cs+:5].[Cs+:6].[c:118]1([CH3:119])[cH:120][cH:121][cH:122][cH:123][cH:124]1.[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([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)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([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)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[CH2:7]([CH3:8])[O:9][C:10](=[O:11])[c:12]1[c:13]([CH:35]=[CH:36][CH3:37])[n:14][c:15]2[cH:16][c:17]([C:23]([F:24])([F:25])[F:26])[cH:18][cH:19][c:20]2[c:21]1[CH3:22]