查数据/反应详情

HRID702589

反应详情

EQUATION

反应方程式

HRID 702589 的结构方程式

REACTANTS

反应物

4

结构：CCO

Ethanol

C2H6O

结构：O

Water

H2O

结构：NN

Hydrazine

H4N2

结构：CC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1

未命名化合物

PRODUCTS

生成物

1

结构：CC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)c(C(F)(F)F)cc2N)CC1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-136a124213c34ba8a5d3124d4e66e3b4
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][OH:34].[F:1][C:2]([c:3]1[cH:4][c:5]([N+:24]([O-:25])=[O:26])[c:6]([NH:10][CH:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]2)[cH:7][c:8]1[Cl:9])([F:27])[F:28].[NH2:30][NH2:31].[OH2:29]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH2:24])[c:6]([NH:10][CH:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]2)[cH:7][c:8]1[Cl:9])([F:27])[F:28]

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