HRID310904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID84468

Trifluoroacetate

C2F3O2-

HCID724838

4-tert-Butylcinnamic acid

C13H16O2

HCID178436620

未命名化合物

PRODUCTS

生成物

结构：C=Cc1cc(CNC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc(F)c1NS(C)(=O)=O

HCID68453110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-997a8054e3d64749a4c7126149e2dadd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]=[CH:12][C:13](=[O:14])[OH:15])[cH:9][cH:10]1.[CH2:16]([O:17][P:18]([C:19]#[N:20])([O:21][CH2:22][CH3:23])=[O:24])[CH3:25].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[F:26][c:27]1[cH:28][c:29]([CH2:30][NH3+:31])[cH:32][c:33]([CH:40]=[CH2:41])[c:34]1[NH:35][S:36](=[O:37])(=[O:38])[CH3:39].[O-:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]=[CH:12][C:13](=[O:15])[NH:31][CH2:30][c:29]2[cH:28][c:27]([F:26])[c:34]([NH:35][S:36](=[O:37])(=[O:38])[CH3:39])[c:33]([CH:40]=[CH2:41])[cH:32]2)[cH:9][cH:10]1