HRID120764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4186202

N-Acetylhomopiperazine

C7H14N2O

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID16227221

5-Phenylthiophene-3-carboxylic acid

C11H8O2S

PRODUCTS

生成物

结构：CC(=O)N1CCCN(C(=O)c2csc(-c3ccccc3)c2)CC1

HCID44224889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42e5fdba574e41789446300ac2ea3635
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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