HRID1572583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID88969

Benzoyl chloride, 2-methoxy-

C8H7ClO2

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：COc1ccccc1C(=O)N1CCC(N2N=C(c3ccc(OC)c4c3CC(C)(C)O4)C(C)(C)C2=O)CC1

HCID46206628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5eec068e3b4f4380aaaf9e2c39c49d2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:29][O:30][c:31]1[c:32]([C:33](=[O:34])[Cl:35])[cH:36][cH:37][cH:38][cH:39]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:33]([c:32]4[c:31]([O:30][CH3:29])[cH:39][cH:38][cH:37][cH:36]4)=[O:34])[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