HRID197449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID669304

4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide

C9H7BrN2O2S2

HCID3034645

pyrrolidine-3-carboxylic acid

C5H9NO2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

PRODUCTS

生成物

结构：O=C(O)C1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1

HCID59466166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e7378b54b6c435e889e08b0328ede24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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