HRID154186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

结构：CN(C)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1

HCID3540500

4-bromo-N-[4-(dimethylamino)phenyl]benzenesulphonamide

C14H15BrN2O2S

HCID178493175

未命名化合物

PRODUCTS

生成物

结构：COc1ccnc(CCc2nc3cc(-c4ccc(S(=O)(=O)Nc5ccc(N(C)C)cc5)cc4)cnc3[nH]2)c1

HCID178493160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5992f14dbd3c428899aac4e56803f169
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

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