HRID1565597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID79000

Trifluoromethanesulphonyl chloride

CClF3O2S

结构：CC#CCOc1ccc(S(=O)(=O)C2(C(=O)OC)CCNCC2)cc1

HCID54136994

未命名化合物

PRODUCTS

生成物

结构：CC#CCOc1ccc(S(=O)(=O)C2(C(=O)OC)CCN(S(=O)(=O)C(F)(F)F)CC2)cc1

HCID23513887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7266c1ca14484f41be4b5bdf252bf16b
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

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