HRID184439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID81531

Diisopropylethylamine

C8H19N

HCID95556

2,2,2-Trifluoro-1-phenylethanol

C8H7F3O

HCID142711121

未命名化合物

PRODUCTS

生成物

结构：N#CCNC(=O)C1CC(S(=O)(=O)c2ccccc2)CN1C(c1ccccc1)C(F)(F)F

HCID75246253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f3cc686d02f46c291d236219fa5fe63
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

[C:38](#[N:39])[CH2:40][NH:41][C:42](=[O:43])[CH:44]1[NH:45][CH2:46][CH:47]([S:49](=[O:50])(=[O:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[CH2:48]1.[CH:13]([N:14]([CH:15]([CH3:16])[CH3:17])[CH2:18][CH3:19])([CH3:20])[CH3:21].[Cl:58][CH2:59][Cl:60].[ClH:37].[F:22][C:23]([S:24]([O:25][S:26]([C:27]([F:28])([F:29])[F:30])(=[O:31])=[O:32])(=[O:33])=[O:34])([F:35])[F:36].[c:1]1([CH:7]([C:8]([F:9])([F:10])[F:11])[OH:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([C:8]([F:9])([F:10])[F:11])[N:45]2[CH:44]([C:42]([NH:41][CH2:40][C:38]#[N:39])=[O:43])[CH2:48][CH:47]([S:49](=[O:50])(=[O:51])[c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)[CH2:46]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1