HRID2151218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID62386

Cyclohexylamine, N-isopropyl-

C9H19N

HCID90266

Methyl 4-methoxyphenylacetate

C10H12O3

HCID21939352

2,4-Dichloro-5-(iodomethyl)pyrimidine

C5H3Cl2IN2

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1cnc(Cl)nc1Cl)c1ccc(OC)cc1

HCID21044312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52c9489ac59849c4a9ad776fad1fd483
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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