HRID178392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID314628

Ethyl 2-aminothiazole-5-carboxylate

C6H8N2O2S

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1

HCID12069489

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)cc2)s1

HCID86590847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcabc567474f45ec8c449e7e7487c111
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

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