HRID680378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID76688

Cyclohexanemethylamine

C7H15N

结构：O=C(c1ccc(F)c([N+](=O)[O-])c1)N(CC(F)(F)F)CC(F)(F)F

HCID58911744

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1)N(CC(F)(F)F)CC(F)(F)F

HCID58911743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c8dd812f4934215ab233ee0bca5be8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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