HRID2317041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2155

2-Aminothiazole

C3H4N2S

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID12067653

2-(3-Chloro-4-methylsulfanyl-phenyl)-3-cyclopentyl-propionic acid

C15H19ClO2S

PRODUCTS

生成物

结构：CSc1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1Cl

HCID22315209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89b21639082f427391b5742917b9c387
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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