HRID137794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID75799

Benzo-1,3-dioxole-5-methylamine

C8H9NO2

HCID280997

2-Fluoro-5-nitrobenzoic acid

C7H4FNO4

PRODUCTS

生成物

结构：O=C(NCc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1F

HCID22467641

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59745ef6e216424cb8b453b7afd00b2d
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

[CH3:26][N:27]([CH3:28])[CH2:29][CH2:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH3:36].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[ClH:25].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1.[O:14]1[CH2:15][O:16][c:17]2[c:18]1[cH:19][cH:20][c:21]([CH2:23][NH2:24])[cH:22]2.[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[F:1][c:2]1[c:3]([C:4](=[O:6])[NH:24][CH2:23][c:21]2[cH:20][cH:19][c:18]3[c:17]([cH:22]2)[O:16][CH2:15][O:14]3)[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1