HRID1134194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID7294

Methyl acrylate

C4H6O2

结构：COc1cc(C(=O)NCc2ccc(-c3noc(C)n3)cc2N)cc(OC)c1C

HCID69491883

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCNc1cc(-c2noc(C)n2)ccc1CNC(=O)c1cc(OC)c(C)c(OC)c1

HCID69491255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fd3c0ea219c43d2aea7a5bdb7597175
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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