HRID2136682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID79668

2-Acetoxybenzoyl chloride

C9H7ClO3

结构：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)c2c1OC(C)(C)C2

HCID66616591

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(C(=O)c4ccccc4OC(C)=O)CC3)C(=O)C2(C)C)c2c1OC(C)(C)C2

HCID46206956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-795869ebd2924446be9db679d5b34c6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:29]([CH3:30])(=[O:31])[O:32][c:33]1[c:34]([C:39](=[O:40])[Cl:41])[cH:35][cH:36][cH:37][cH:38]1.[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]([C:15]2=[N:19][N:18]([CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[C:17](=[O:26])[C:16]2([CH3:27])[CH3:28])[c:8]2[c:12]1[O:11][C:10]([CH3:13])([CH3:14])[CH2:9]2.[ClH:1]>>[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]([C:15]2=[N:19][N:18]([CH:20]3[CH2:21][CH2:22][N:23]([C:39]([c:34]4[c:33]([O:32][C:29]([CH3:30])=[O:31])[cH:38][cH:37][cH:36][cH:35]4)=[O:40])[CH2:24][CH2:25]3)[C:17](=[O:26])[C:16]2([CH3:27])[CH3:28])[c:8]2[c:12]1[O:11][C:10]([CH3:13])([CH3:14])[CH2:9]2