查数据/反应详情

HRID94592

反应详情

EQUATION

反应方程式

HRID 94592 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：Cc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1C(F)(F)F

未命名化合物

PRODUCTS

生成物

1

结构：Cc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)c(N)cc1C(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-9a45926350784f2aa38119adac3d0a0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([C:25]([F:26])([F:27])[F:28])[cH:4][c:5]([N+:22]([O-:23])=[O:24])[c:6]([NH:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:7]1.[CH3:32][CH2:33][OH:34].[NH2:30][NH2:31].[OH2:29]>>[CH3:1][c:2]1[c:3]([C:25]([F:26])([F:27])[F:28])[cH:4][c:5]([NH2:22])[c:6]([NH:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:7]1

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