HRID667045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5801

2-Aminophenol

C6H7NO

HCID7918

Acetic anhydride

C4H6O3

HCID31214

Ethyl orthoformate

C7H16O3

结构：CCOC(=O)CC(=O)c1c(F)c(F)c(N2CCC(NC(C)=O)C2)c(F)c1F

HCID19957204

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=CNc1ccccc1O)C(=O)c1c(F)c(F)c(N2CCC(NC(C)=O)C2)c(F)c1F

HCID178471923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d886565e35194acd95e4d11be152a470
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]1[CH2:6][N:7]([c:10]2[c:11]([F:27])[c:12]([F:26])[c:13]([C:14](=[O:15])[CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:22]([F:25])[c:23]2[F:24])[CH2:8][CH2:9]1.[CH3:38][C:39]([O:40][C:41](=[O:42])[CH3:43])=[O:44].[CH:28]([O:29][CH2:30][CH3:31])([O:32][CH2:33][CH3:34])[O:35][CH2:36][CH3:37].[NH2:45][c:46]1[c:47]([OH:52])[cH:48][cH:49][cH:50][cH:51]1>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]1[CH2:6][N:7]([c:10]2[c:11]([F:27])[c:12]([F:26])[c:13]([C:14](=[O:15])[C:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])=[CH:28][NH:45][c:46]3[c:47]([OH:52])[cH:48][cH:49][cH:50][cH:51]3)[c:22]([F:25])[c:23]2[F:24])[CH2:8][CH2:9]1