HRID686880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID12284894

5-bromothiophene-3-carbaldehyde

C5H3BrOS

结构：CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(B4OC(C)(C)C(C)(C)O4)cc23)CC1

HCID59828929

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：CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cc(C=O)cs4)cc23)CC1

HCID57732828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4736ee2912854ef6bacd2b656c010534
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH:7]=[O:8])[cH:5][s:6]1.[C:41](=[O:42])([O-:43])[O-:44].[CH2:9]([CH3:10])[S:11](=[O:12])(=[O:13])[N:14]1[CH2:15][CH2:16][CH:17]([c:20]2[cH:21][nH:22][c:23]3[c:24]([C:38](=[O:39])[NH2:40])[cH:25][c:26]([B:29]4[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]4)[cH:27][c:28]23)[CH2:18][CH2:19]1.[CH3:137][OH:138].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[K+:45].[K+:46].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:59].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([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)[P:104]([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)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[c:2]1(-[c:26]2[cH:25][c:24]([C:38](=[O:39])[NH2:40])[c:23]3[nH:22][cH:21][c:20]([CH:17]4[CH2:16][CH2:15][N:14]([S:11]([CH2:9][CH3:10])(=[O:12])=[O:13])[CH2:19][CH2:18]4)[c:28]3[cH:27]2)[cH:3][c:4]([CH:7]=[O:8])[cH:5][s:6]1