HRID691478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID144686

Bicyclo[3.2.1]octane-2,4-dione

C8H10O2

HCID86661432

未命名化合物

PRODUCTS

生成物

结构：CSc1c(C(F)(F)C(F)(F)F)ccc(C(=O)OC2=CC(=O)C3CCC2C3)c1C

HCID86661433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a65da8f7f7f4b0aa77a92fe9394751b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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