查数据/反应详情

HRID1538584

反应详情

EQUATION

反应方程式

HRID 1538584 的结构方程式

REACTANTS

反应物

2

结构：CO

Methanol

CH4O

结构：COc1ccc(CC(CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)[N+](=O)[O-])cc1OC

未命名化合物

PRODUCTS

生成物

1

结构：COc1ccc(CC(N)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9363e10202544a14aa140a4559ff3588
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

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

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