查数据/反应详情

HRID177176

反应详情

EQUATION

反应方程式

HRID 177176 的结构方程式

REACTANTS

反应物

3

结构：CCO

Ethanol

C2H6O

结构：NCC1CCCC1

Cyclopentanemethylamine

C6H13N

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

未命名化合物

PRODUCTS

生成物

1

结构：O=C(c1ccc(NCC2CCCC2)c([N+](=O)[O-])c1)N(CC(F)(F)F)CC(F)(F)F

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11284ae068ac45318ca5c44e3e621126
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:31][CH2:32][OH:33].[CH:24]1([CH2:29][NH2:30])[CH2:25][CH2:26][CH2:27][CH2:28]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:30][CH2:29][CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]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

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