HRID123826

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

结构：CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(Br)cc23)CC1

HCID11384427

未命名化合物

HCID66723160

B-[5-[[(2-Ethylbutyl)amino]methyl]-2-thienyl]boronic acid

C11H20BNO2S

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：CCC(CC)CNCc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)s1

HCID57732621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01f29ccdebea4d1fb5dac26ec525ff43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:17][c:18]1[cH:19][c:20]2[c:21]([CH:30]3[CH2:31][CH2:32][N:33]([S:36](=[O:37])(=[O:38])[CH2:39][CH3:40])[CH2:34][CH2:35]3)[cH:22][nH:23][c:24]2[c:25]([C:27](=[O:28])[NH2:29])[cH:26]1.[CH2:1]([CH3:2])[CH:3]([CH2:4][NH:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([B:12]([OH:13])[OH:14])[s:11]1)[CH2:15][CH3:16].[K+:41].[K+:42].[O-:43][C:44]([O-:45])=[O:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:53].[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>>[CH2:1]([CH3:2])[CH:3]([CH2:4][NH:5][CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:18]2[cH:19][c:20]3[c:21]([CH:30]4[CH2:31][CH2:32][N:33]([S:36](=[O:37])(=[O:38])[CH2:39][CH3:40])[CH2:34][CH2:35]4)[cH:22][nH:23][c:24]3[c:25]([C:27](=[O:28])[NH2:29])[cH:26]2)[s:11]1)[CH2:15][CH3:16]