HRID1551152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID9960

3-Furanol, tetrahydro-

C4H8O2

结构：N#Cc1cc(C(F)(F)F)ccc1Oc1ccc([N+](=O)[O-])c(C(=O)Cl)c1

HCID20229922

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

C15H6ClF3N2O4

PRODUCTS

生成物

结构：N#Cc1cc(C(F)(F)F)ccc1Oc1ccc([N+](=O)[O-])c(C(=O)OC2CCOC2)c1

HCID13731309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e176dc04cc7c45a78642f11743ddd90f
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

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