HRID2323466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID69860

2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-

C6H8N2O3

结构：C=CCN(c1nccs1)S(=O)(=O)c1ccc(N2CCC(N3CCCc4cc(Cl)ccc43)C2=O)nc1

HCID67337072

未命名化合物

PRODUCTS

生成物

结构：O=C1C(N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cn1

HCID74411525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-574eb8c5bbf44321ba66f6ab2a1f8a6b
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

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