HRID1572579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID8454

N-Methylpyrrolidine

C5H11N

HCID10934859

Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate

C11H8ClF3O3

HCID22121259

5-Fluoropyridine-2,4-diamine

C5H6FN3

结构：CCOC=C(C(=O)OCC)C(=O)c1cc(F)c(F)c(Cl)c1F

HCID54402571

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=CNc1cc(N)ncc1F)C(=O)c1cc(F)c(F)c(Cl)c1F

HCID178471955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e596301913a24029b27cb6862c2dca4d
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

[CH2:1]([O:2][CH:4]=[C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[C:11]([c:12]1[c:13]([F:21])[c:14]([Cl:20])[c:15]([F:19])[c:16]([F:18])[cH:17]1)=[O:22])[CH3:3].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[CH:57]([Cl:58])([Cl:59])[Cl:60].[Cl:23][c:24]1[c:25]([F:26])[c:27]([C:33]([CH2:34][C:35]([O:36][CH2:37][CH3:38])=[O:39])=[O:40])[cH:28][c:29]([F:30])[c:31]1[F:32].[ClH:41].[NH2:42][c:43]1[n:44][cH:45][c:46]([F:50])[c:47]([NH2:49])[cH:48]1>>[CH:4](=[C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[C:11]([c:12]1[c:13]([F:21])[c:14]([Cl:20])[c:15]([F:19])[c:16]([F:18])[cH:17]1)=[O:22])[NH:49][c:47]1[c:46]([F:50])[cH:45][n:44][c:43]([NH2:42])[cH:48]1