HRID116401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID13055804

Methyl 2-chloro-6-methylpyridine-3-carboxylate

C8H8ClNO2

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：COC(=O)c1ccc(C)nc1-c1ccc(C(F)(F)F)cc1

HCID58629747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b12d5c4bf16341a4a56be6204e44825a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[c:5]([Cl:11])[n:6][c:7]([CH3:10])[cH:8][cH:9]1)=[O:12].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[CH3:38][CH2:39][OH:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[F:13][C:14]([c:15]1[cH:16][cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]1)([F:24])[F:25].[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([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)[cH:123][cH:124]1>>[CH3:1][O:2][C:3]([c:4]1[c:5](-[c:18]2[cH:17][cH:16][c:15]([C:14]([F:13])([F:24])[F:25])[cH:20][cH:19]2)[n:6][c:7]([CH3:10])[cH:8][cH:9]1)=[O:12]