HRID957803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID67047677

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1cc(C#Cc2cncc(C#N)c2)ccc1F

HCID67048340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8531543f313f45a2b23767f298c7384c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:14](#[N:15])[c:16]1[cH:17][c:18]([C:22]#[C:23][c:24]2[cH:25][cH:26][c:27]([F:33])[c:28]([C:29](=[O:30])[OH:31])[cH:32]2)[cH:19][n:20][cH:21]1.[CH3:2][NH:3][CH3:4].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH:5]([N:6]([CH2:7][CH3:8])[CH:9]([CH3:10])[CH3:11])([CH3:12])[CH3:13].[ClH:1].[OH2:34].[OH:35][n:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[CH3:2][N:3]([CH3:4])[C:29]([c:28]1[c:27]([F:33])[cH:26][cH:25][c:24]([C:23]#[C:22][c:18]2[cH:17][c:16]([C:14]#[N:15])[cH:21][n:20][cH:19]2)[cH:32]1)=[O:31]