HRID1131506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

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

HCID1519405

tert-Butyl azetidin-3-ylcarbamate

C8H16N2O2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1

HCID59466463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-725a841b9ef94014bbbf2c64518eef54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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.[C:17]([OH:18])(=[O:19])[CH3:20].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[NH:21]1[CH2:22][CH:23]([NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:24]1.[O:100]=[C:101]([CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1)[CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1.[O:64]=[C:65]([CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[O:82]=[C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)[CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[OH2:54].[Pd:62].[Pd:63].[c:33]1(-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][c:44]1[P:45]([C:46]([CH3:47])([CH3:48])[CH3:49])[C:50]([CH3:51])([CH3:52])[CH3:53]>>[c:2]1([N:21]2[CH2:22][CH:23]([NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:24]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