HRID165061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7918

Acetic anhydride

C4H6O3

HCID31214

Ethyl orthoformate

C7H16O3

HCID600916

Ethyl 2,3,4,5-tetrafluorobenzoylacetate

C11H8F4O3

HCID55284401

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=CNC1(CC(C)O)CCC1)C(=O)c1cc(F)c(F)c(F)c1F

HCID178471945

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2e737eaa141492995217974df708b75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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