HRID206401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID84580

Ethyl 5-bromovalerate

C7H13BrO2

结构：NCCc1cc(F)ccc1OCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID57971928

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCCNCCc1cc(F)ccc1OCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID57971939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-931b9a6e1cee40128ff2eb60a2ff2127
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:38][CH2:39][CH2:40][CH2:41][CH2:42][C:43](=[O:44])[O:45][CH2:46][CH3:47].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[ClH:1].[ClH:30].[F:2][c:3]1[cH:4][cH:5][c:6]([O:12][CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]3)[cH:18][cH:19]2)[c:7]([CH2:9][CH2:10][NH2:11])[cH:8]1.[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:54]>>[F:2][c:3]1[cH:4][cH:5][c:6]([O:12][CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]3)[cH:18][cH:19]2)[c:7]([CH2:9][CH2:10][NH:11][CH2:39][CH2:40][CH2:41][CH2:42][C:43](=[O:44])[O:45][CH2:46][CH3:47])[cH:8]1