HRID1129589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID10988

1-Butanamine, 3-methyl-N-(3-methylbutyl)-

C10H23N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID230653

3-Fluoro-4-nitrobenzoic acid

C7H4FNO4

PRODUCTS

生成物

结构：CC(C)CCN(CCC(C)C)C(=O)c1ccc([N+](=O)[O-])c(F)c1

HCID68447111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5369b1a5a8ea44088d31a9bb382b2672
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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