HRID1115815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID26297

2-Chloro-2-oxoethyl acetate

C4H5ClO3

结构：Nc1c([N+](=O)[O-])cnn1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F

HCID13933713

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC(=O)Nc1c([N+](=O)[O-])cnn1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F

HCID19783057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9357bdaceb094957ae31f8e981bc5c27
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

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