HRID1135069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

HCID2758360

2,4-Difluorothioanisole

C7H6F2S

结构：CS(=O)(=O)Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1

HCID11628623

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：CSc1c(F)cc(F)cc1-c1ccc2cc(OS(C)(=O)=O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1

HCID57552531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29d8bb7ea9244ce78e928dfd41316cf9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BH:41]([OH:42])[OH:43].[CH3:1][S:2](=[O:3])(=[O:4])[O:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([O:33][S:34]([C:35]([F:36])([F:37])[F:38])(=[O:39])=[O:40])[c:12]([C:16]([c:17]3[cH:18][cH:19][c:20]([O:23][CH2:24][CH2:25][N:26]4[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]4)[cH:21][cH:22]3)=[O:32])[c:13]2[cH:14][cH:15]1.[F:44][c:45]1[c:46]([S:52][CH3:53])[cH:47][cH:48][c:49]([F:51])[cH:50]1.[Na+:131].[Na+:132].[O-:133][C:134](=[O:135])[O-:136].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([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)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([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)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([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)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[CH3:1][S:2](=[O:3])(=[O:4])[O:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11](-[c:47]3[c:46]([S:52][CH3:53])[c:45]([F:44])[cH:50][c:49]([F:51])[cH:48]3)[c:12]([C:16]([c:17]3[cH:18][cH:19][c:20]([O:23][CH2:24][CH2:25][N:26]4[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]4)[cH:21][cH:22]3)=[O:32])[c:13]2[cH:14][cH:15]1