HRID159904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：COC(=O)C(NS(=O)(=O)c1ccc(Br)cc1)C(C)C

HCID43403874

未命名化合物

结构：CC1(C)OB(c2ccc(COc3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)cc2)OC1(C)C

HCID86598631

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：COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(COc3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)cc2)cc1)C(C)C

HCID86598632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ffe5c1c9702488aacff3637a271bde9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([CH2:13][O:14][c:15]3[cH:16][c:17]([C:29]([F:30])([F:31])[F:32])[n:18][c:19]4[c:20]([C:25]([F:26])([F:27])[F:28])[cH:21][cH:22][cH:23][c:24]34)[cH:33][cH:34]2)[O:35]1.[CH3:36][O:37][C:38]([CH:39]([CH:40]([CH3:41])[CH3:42])[NH:43][S:44](=[O:45])(=[O:46])[c:47]1[cH:48][cH:49][c:50]([Br:53])[cH:51][cH:52]1)=[O:54].[CH3:61][O:62][CH2:63][CH2:64][O:65][CH3:66].[K+:55].[K+:56].[O-:57][C:58]([O-:59])=[O:60].[cH:67]1[cH:68][cH:69][c:70]([P:71]([Pd:72]([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)[P:111]([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143]1>>[c:9]1(-[c:50]2[cH:49][cH:48][c:47]([S:44]([NH:43][CH:39]([C:38]([O:37][CH3:36])=[O:54])[CH:40]([CH3:41])[CH3:42])(=[O:45])=[O:46])[cH:52][cH:51]2)[cH:10][cH:11][c:12]([CH2:13][O:14][c:15]2[cH:16][c:17]([C:29]([F:30])([F:31])[F:32])[n:18][c:19]3[c:20]([C:25]([F:26])([F:27])[F:28])[cH:21][cH:22][cH:23][c:24]23)[cH:33][cH:34]1