HRID1555778

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

HCID641000

3-Amino-3-methylbutan-1-ol

C5H13NO

PRODUCTS

生成物

结构：CCOC(=O)C(=CNC(C)(C)CCO)C(=O)c1cc(F)c(F)c(F)c1F

HCID178472001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b344c41480f446da951fe6529dd6f434
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

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