HRID212148

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID117544

Ethyl 6-bromohexanoate

C8H15BrO2

HCID4574913

未命名化合物

结构：CC(=O)Nc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F

HCID19434907

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCCCN(C(C)=O)c1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F

HCID19434969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b918738e046b4ea6b34b91410669b86a
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

[Br:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42].[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([F:25])[cH:7][c:8](-[c:11]2[o:12][c:13]3[c:14]([c:15](=[O:17])[cH:16]2)[c:18]([NH2:24])[c:19]([F:23])[cH:20][c:21]3[F:22])[cH:9][cH:10]1.[CH3:26][C:27]([CH3:28])([O-:29])[CH3:30].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Cl-:43].[K+:31].[NH4+:44]>>[C:1]([CH3:2])(=[O:3])[N:4]([c:5]1[c:6]([F:25])[cH:7][c:8](-[c:11]2[o:12][c:13]3[c:14]([c:15](=[O:17])[cH:16]2)[c:18]([NH2:24])[c:19]([F:23])[cH:20][c:21]3[F:22])[cH:9][cH:10]1)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42]