HRID181051

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

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID76115

Benzo-1,3-dioxole-5-acetic acid

C9H8O4

结构：NN=Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

HCID73868687

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccc2c(c1)OCO2)NN=Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

HCID72963488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f2f376761124bc480b9a2e8dd022ad5
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

[CH2:38]([N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[CH3:48].[CH3:54][N:55]([CH3:56])[c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1.[Cl:63][CH2:64][Cl:65].[ClH:37].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[O:12][c:13]2[c:14]([CH:19]=[N:20][NH2:21])[cH:15][cH:16][cH:17][cH:18]2)[cH:7][cH:8]1)([F:22])[F:23].[O:24]1[CH2:25][O:26][c:27]2[c:28]1[cH:29][cH:30][c:31]([CH2:33][C:34](=[O:35])[OH:36])[cH:32]2.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[O:12][c:13]2[c:14]([CH:19]=[N:20][NH:21][C:34]([CH2:33][c:31]3[cH:30][cH:29][c:28]4[c:27]([cH:32]3)[O:26][CH2:25][O:24]4)=[O:35])[cH:15][cH:16][cH:17][cH:18]2)[cH:7][cH:8]1)([F:22])[F:23]