HRID111088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID344311

2-(Chloromethyl)anthraquinone

C15H9ClO2

结构：Cc1cc(C)cc(Oc2[nH]c(=O)[nH]c(=O)c2C(C)C)c1

HCID22256578

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1

HCID15957782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36b6a88190a142d3ae979f0aa80016dc
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

[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5](=[O:20])[nH:6][c:7](=[O:19])[nH:8][c:9]1[O:10][c:11]1[cH:12][c:13]([CH3:18])[cH:14][c:15]([CH3:17])[cH:16]1.[Cl:21][CH2:22][c:23]1[cH:24][c:25]2[c:34]([cH:35][cH:36]1)[C:33](=[O:37])[c:32]1[c:27]([cH:28][cH:29][cH:30][cH:31]1)[C:26]2=[O:38]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5](=[O:20])[nH:6][c:7](=[O:19])[n:8]([CH2:22][c:23]2[cH:24][c:25]3[c:34]([cH:35][cH:36]2)[C:33](=[O:37])[c:32]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[C:26]3=[O:38])[c:9]1[O:10][c:11]1[cH:12][c:13]([CH3:18])[cH:14][c:15]([CH3:17])[cH:16]1