查数据/反应详情

HRID665223

反应详情

EQUATION

反应方程式

HRID 665223 的结构方程式

REACTANTS

反应物

2

结构：Cc1cc(C#N)cc(C)c1O

Benzonitrile, 3,5-dimethyl-4-hydroxy-

C9H9NO

结构：CCc1cc(C(=N)NO)cc(C)c1CCC(=O)OC(C)(C)C

未命名化合物

PRODUCTS

生成物

1

结构：Cc1cc(C(=N)NO)cc(C)c1CCC(=O)OC(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-0b3b50109a1b429ea41b86909b7554ba
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

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

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