HRID836983

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2734364

4-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

结构：COc1ccc(CNc2ncc(C#N)c3sc4cc(Br)ccc4c23)cc1

HCID59198465

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2ncc(C#N)c3sc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc4c23)cc1

HCID59198486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bfe7e0197ea4096b5e4497f1f82a155
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][c:4]2[c:5]([cH:6][cH:7]1)[c:8]1[c:9]([NH:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]3)[n:10][cH:11][c:12]([C:15]#[N:16])[c:13]1[s:14]2.[CH3:27][S:28](=[O:29])(=[O:30])[c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:59].[Pd:60].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[c:2]1(-[c:34]2[cH:33][cH:32][c:31]([S:28]([CH3:27])(=[O:29])=[O:30])[cH:36][cH:35]2)[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[c:8]1[c:9]([NH:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]3)[n:10][cH:11][c:12]([C:15]#[N:16])[c:13]1[s:14]2