HRID1549733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID12025

2-Pyrrolidinone

C4H7NO

结构：O=C(Cl)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

HCID3017765

5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl chloride

C14H6Cl2F3NO4

PRODUCTS

生成物

结构：O=C1CCCN1C(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

HCID13187387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-196fd863612b4e24ad3ad7716da09e35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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