HRID2338250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2773537

{4-[(Methanesulfonyl)amino]phenyl}boronic acid

C7H10BNO4S

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

结构：NC(=O)c1cc(Br)cc2c(C3CCN(S(=O)(=O)CCCN4CCCC4)CC3)n[nH]c12

HCID178513509

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1ccc(-c2cc(C(N)=O)c3[nH]nc(C4CCN(S(=O)(=O)CCCN5CCCC5)CC4)c3c2)cc1

HCID178504996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abf02f9d2ed84feab25daf73b66e1534
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:1][c:2]1[cH:3][c:4]2[c:5]([CH:14]3[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH2:23][CH2:24][CH2:25][N:26]4[CH2:27][CH2:28][CH2:29][CH2:30]4)[CH2:18][CH2:19]3)[n:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[NH2:13])[cH:10]1.[C:45](=[O:46])([O-:47])[O-:48].[CH3:31][S:32](=[O:33])(=[O:34])[NH:35][c:36]1[cH:37][cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1.[K+:49].[K+:50].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH2:51].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[c:2]1(-[c:39]2[cH:38][cH:37][c:36]([NH:35][S:32]([CH3:31])(=[O:33])=[O:34])[cH:41][cH:40]2)[cH:3][c:4]2[c:5]([CH:14]3[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH2:23][CH2:24][CH2:25][N:26]4[CH2:27][CH2:28][CH2:29][CH2:30]4)[CH2:18][CH2:19]3)[n:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[NH2:13])[cH:10]1