HRID2146905

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID96160

N-Methylpropyn-2-ylamine

C4H7N

结构：COc1ccccc1N1CCN(CCC(C(=O)O)c2ccccc2)CC1

HCID9863428

未命名化合物

PRODUCTS

生成物

结构：C#CCN(C)C(=O)C(CCN1CCN(c2ccccc2OC)CC1)c1ccccc1

HCID9931130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4fe45274c974ba0b0aedfdf70cd8b85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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