HRID290889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID302679

2-Fluoro-4-nitrobenzoic acid

C7H4FNO4

HCID66877987

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)c1

HCID57917650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d42b015809341a6b949fd0b53b0cca3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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