HRID313765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID87152

6-(Methylsulfonyl)-2-benzothiazolamine

C8H8N2O2S2

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID2762725

3-cyclopentyl-2-(3,4-dichlorophenyl)propanoic Acid

C14H16Cl2O2

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(Cl)c(Cl)c3)sc2c1

HCID10228598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4ff5dcd0ec84490b327731087673c81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:69]([Cl:70])[Cl:71].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]2[cH:12][c:13]([Cl:18])[c:14]([Cl:17])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[NH2:46][c:47]1[s:48][c:49]2[c:50]([n:51]1)[cH:52][cH:53][c:54]([S:56](=[O:57])(=[O:58])[CH3:59])[cH:55]2.[OH2:72].[P-:19]([F:20])([F:21])([F:22])([F:23])([F:24])[F:25].[n:26]1([O:27][P+:28]([N:29]([CH3:30])[CH3:31])([N:32]([CH3:33])[CH3:34])[N:35]([CH3:36])[CH3:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:46][c:47]2[s:48][c:49]3[c:50]([n:51]2)[cH:52][cH:53][c:54]([S:56](=[O:57])(=[O:58])[CH3:59])[cH:55]3)[c:11]2[cH:12][c:13]([Cl:18])[c:14]([Cl:17])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1