HRID809678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8471

Triethylamine

C6H15N

HCID70276

Benzoyl chloride, 2-methyl-

C8H7ClO

结构：C#CC(C)(C)N1CCC(O)N(c2nnc(C(F)(F)F)s2)C1=O

HCID21400099

未命名化合物

PRODUCTS

生成物

结构：C#CC(C)(C)N1CCC(OC(=O)c2ccccc2C)N(c2nnc(C(F)(F)F)s2)C1=O

HCID21455442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b319343ac4c4880997a7699ba53a876
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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