查数据/反应详情

HRID1130165

反应详情

EQUATION

反应方程式

HRID 1130165 的结构方程式

REACTANTS

反应物

2

结构：CO

Methanol

CH4O

结构：CN(C(=O)OC(C)(C)C)c1cc(Oc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1[N+](=O)[O-]

未命名化合物

PRODUCTS

生成物

1

结构：CN(C(=O)OC(C)(C)C)c1cc(Oc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1N

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef72b63bc9114940932f69e4e2b152a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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

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