HRID319610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

结构：O=S(=O)(Oc1cccc2c(OS(=O)(=O)C(F)(F)F)cccc12)C(F)(F)F

HCID14976571

Naphthalene-1,5-diyl bis(trifluoromethanesulfonate)

C12H6F6O6S2

结构：CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1

HCID57449759

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(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc(-c3cccc4c(OS(=O)(=O)C(F)(F)F)cccc34)cc2)[nH]1

HCID72338025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-709c276f9c424e6294f7324bcf06ab3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([B:24]4[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]4)[cH:22][cH:23]3)[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1.[C:59](=[O:60])([O-:61])[O-:62].[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[F:33][C:34]([S:35](=[O:36])(=[O:37])[O:38][c:39]1[c:40]2[cH:41][cH:42][cH:43][c:44]([O:49][S:50]([C:51]([F:52])([F:53])[F:54])(=[O:55])=[O:56])[c:45]2[cH:46][cH:47][cH:48]1)([F:57])[F:58].[K+:63].[K+:64].[cH:72]1[cH:73][cH:74][c:75]([P:76]([Pd:77]([P:78]([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)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([P:97]([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)[P:116]([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)[c:141]2[cH:142][cH:143][cH:144][cH:145][cH:146]2)[cH:147][cH:148]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][cH:20][c:21](-[c:44]4[cH:43][cH:42][cH:41][c:40]5[c:39]([O:38][S:35]([C:34]([F:33])([F:57])[F:58])(=[O:36])=[O:37])[cH:48][cH:47][cH:46][c:45]54)[cH:22][cH:23]3)[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1