HRID801557

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

3 次

HCID947

Nitrogen

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

结构：CS(=O)(=O)c1ccc(-c2ccn3c(I)cnc3c2)cc1

HCID68543659

未命名化合物

结构：CC(C)(C)c1cc(NC(=O)Nc2ccc(Br)cc2)[nH]n1

HCID178441169

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccn34)cc2)[nH]n1

HCID178441171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fcaca4e67604927a97811c40bb8fd19
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[nH:13][n:14][c:15]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:16]2)[cH:6][cH:7]1.[C:67](=[O:68])([O-:69])[O-:70].[CH3:139][CH2:140][O:141][C:142]([CH3:143])=[O:144].[CH3:145][S:146]([CH3:147])=[O:148].[CH3:41][C:42](=[O:43])[O-:44].[CH:111](=[CH:112][C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)=[O:122])[c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1.[CH:21]1([P:22]([CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[CH:75](=[CH:76][C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)=[O:86])[c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[CH:93](=[CH:94][C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)=[O:104])[c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[Cl:129][CH2:130][Cl:131].[I:47][c:48]1[cH:49][n:50][c:51]2[n:52]1[cH:53][cH:54][c:55](-[c:57]1[cH:58][cH:59][c:60]([S:63](=[O:64])(=[O:65])[CH3:66])[cH:61][cH:62]1)[cH:56]2.[K+:40].[K+:71].[K+:72].[N:45]#[N:46].[O:133]1[CH2:134][CH2:135][O:136][CH2:137][CH2:138]1.[OH2:132].[Pd:73].[Pd:74]>>[c:2]1(-[c:48]2[cH:49][n:50][c:51]3[n:52]2[cH:53][cH:54][c:55](-[c:57]2[cH:58][cH:59][c:60]([S:63](=[O:64])(=[O:65])[CH3:66])[cH:61][cH:62]2)[cH:56]3)[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[nH:13][n:14][c:15]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:16]2)[cH:6][cH:7]1