HRID2329213

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

HCID19660

Carbonate

CO3-2

HCID69696

4-Bromobenzenesulfonamide

C6H6BrNO2S

HCID23451199

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：NS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)OCO3)cc1

HCID23451113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5eff1c8eea44f8faaf33292375b0b9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:20][c:21]1[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[NH2:30])[cH:25][cH:26]1.[C:31](=[O:32])([O-:33])[O-:34].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][OH:46].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([B:17]([OH:18])[OH:19])[cH:10][c:11]3[c:12]([cH:16]2)[O:13][CH2:14][O:15]3)[cH:6][cH:7]1.[Na+:35].[Na+:36].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([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)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([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)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:21]3[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[NH2:30])[cH:25][cH:26]3)[cH:10][c:11]3[c:12]([cH:16]2)[O:13][CH2:14][O:15]3)[cH:6][cH:7]1