HRID2326399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

结构：COc1cc(OC)c2c(CNC(=O)OC(C)(C)C)ncc(C(=O)N(CCN(C)C)Cc3ccccc3)c2c1

HCID68613386

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c2c(CN)ncc(C(=O)N(CCN(C)C)Cc3ccccc3)c2c1

HCID46846941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15fac6deb70f482897c53fee7ca551c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][c:9]1[n:10][cH:11][c:12]([C:23]([N:24]([CH2:25][CH2:26][N:27]([CH3:28])[CH3:29])[CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:37])[c:13]2[cH:14][c:15]([O:21][CH3:22])[cH:16][c:17]([O:19][CH3:20])[c:18]12)([CH3:5])([CH3:6])[CH3:38].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[ClH:39]>>[NH2:7][CH2:8][c:9]1[n:10][cH:11][c:12]([C:23]([N:24]([CH2:25][CH2:26][N:27]([CH3:28])[CH3:29])[CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:37])[c:13]2[cH:14][c:15]([O:21][CH3:22])[cH:16][c:17]([O:19][CH3:20])[c:18]12