HRID1545625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID11616756

4-Pentyn-1-ol, 5-[4-(trifluoromethoxy)phenyl]-, 1-methanesulfonate

C13H13F3O4S

HCID16731704

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cn1ccc2ccc(NCCCC#Cc3ccc(OC(F)(F)F)cc3)cc21

HCID68823310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fd865509aec4c39948858c2fc9bf005
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

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