HRID184348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9845

Trifluoroacetic anhydride

C4F6O3

结构：NC(=O)C1CC(F)(F)CN1C(=O)COS(=O)(=O)c1ccccc1

HCID178513679

未命名化合物

PRODUCTS

生成物

结构：N#CC1CC(F)(F)CN1C(=O)COS(=O)(=O)c1ccccc1

HCID178510176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e76f175963bf42c4b35e8dd761ae8418
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:45][C:46]#[N:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[F:31][C:32]([F:33])([F:34])[C:35]([O:36][C:37](=[O:38])[C:39]([F:40])([F:41])[F:42])=[O:43].[OH2:44].[c:1]1([S:7](=[O:8])(=[O:9])[O:10][CH2:11][C:12](=[O:13])[N:14]2[CH:15]([C:21](=[O:22])[NH2:23])[CH2:16][C:17]([F:19])([F:20])[CH2:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[O:10][CH2:11][C:12](=[O:13])[N:14]2[CH:15]([C:21]#[N:23])[CH2:16][C:17]([F:19])([F:20])[CH2:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1