HRID138156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID6420

Trichloroacetyl chloride

C2Cl4O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)(C)OC(=O)N(CCCNS(=O)(=O)C(F)(F)F)Cc1cccc2nccn12

HCID21190222

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(CCCNS(=O)(=O)C(F)(F)F)Cc1cccc2ncc(C(=O)C(Cl)(Cl)Cl)n12

HCID21190110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-606fc108a278496a940c60387dec05ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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