HRID1546464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID8471

Triethylamine

C6H15N

HCID239041

2-Propyn-1-amine

C3H5N

HCID240796

未命名化合物

HCID178433243

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCC#Cc1c(F)ccc2c1C(=Cc1[nH]cnc1C)C(=O)N2

HCID178474719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28efb860b26b42cdb1b2e9b449d89c39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([C:2]#[CH:3])[NH:4][C:5]([CH3:6])=[O:7].[CH2:8]([NH2:9])[C:10]#[CH:11].[CH3:12][C:13](=[O:14])[Cl:15].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:35][CH2:36][Cl:37].[F:16][c:17]1[c:18]([I:34])[c:19]2[c:23]([cH:24][cH:25]1)[NH:22][C:21](=[O:26])[C:20]2=[CH:27][c:28]1[c:29]([CH3:33])[n:30][cH:31][nH:32]1.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[CH2:1]([C:2]#[C:3][c:18]1[c:17]([F:16])[cH:25][cH:24][c:23]2[c:19]1[C:20](=[CH:27][c:28]1[c:29]([CH3:33])[n:30][cH:31][nH:32]1)[C:21](=[O:26])[NH:22]2)[NH:4][C:5]([CH3:6])=[O:7]