HRID184340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID2778903

4-Bromo-2-fluorobenzenesulfonamide

C6H5BrFNO2S

HCID18367522

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(Oc1ccc(-c2ccc(S(N)(=O)=O)c(F)c2)cc1)C(O)CCc1cccnc1

HCID20692759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0013384fe8d4ab19e1400d7bee0142c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:23][c:24]1[cH:25][c:26]([F:34])[c:27]([S:30](=[O:31])(=[O:32])[NH2:33])[cH:28][cH:29]1.[CH3:118][CH2:119][OH:120].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[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.[n:1]1[cH:2][c:3]([CH2:7][CH2:8][CH:9]([CH:10]([CH3:11])[O:12][c:13]2[cH:14][cH:15][c:16]([B:19]([OH:20])[OH:21])[cH:17][cH:18]2)[OH:22])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([CH2:7][CH2:8][CH:9]([CH:10]([CH3:11])[O:12][c:13]2[cH:14][cH:15][c:16](-[c:24]3[cH:25][c:26]([F:34])[c:27]([S:30](=[O:31])(=[O:32])[NH2:33])[cH:28][cH:29]3)[cH:17][cH:18]2)[OH:22])[cH:4][cH:5][cH:6]1