查数据/反应详情

HRID283953

反应详情

EQUATION

反应方程式

HRID 283953 的结构方程式

REACTANTS

反应物

3

结构：CC(=O)O

Acetic Acid

C2H4O2

结构：CO

Methanol

CH4O

结构：CC(C)(C)OC(=O)NC1C=C(c2ccncc2[N+](=O)[O-])CCC1O[Si](C)(C)C(C)(C)C

未命名化合物

PRODUCTS

生成物

1

结构：CC(C)(C)OC(=O)NC1C=C(c2ccncc2N)CCC1O[Si](C)(C)C(C)(C)C

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b409d0d5b4a436ea3138f29b3586fe0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][CH2:9][C:10]([c:21]2[c:22]([N+:27]([O-:28])=[O:29])[cH:23][n:24][cH:25][cH:26]2)=[CH:11][CH:12]1[NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])([CH3:30])[CH3:31].[C:34]([OH:35])(=[O:36])[CH3:37].[CH3:32][OH:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][CH2:9][C:10]([c:21]2[c:22]([NH2:27])[cH:23][n:24][cH:25][cH:26]2)=[CH:11][CH:12]1[NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])([CH3:30])[CH3:31]

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