HRID1222124

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

HCID87441

Benzeneacetic acid, 3,4-dimethoxy-, ethyl ester

C12H16O4

HCID21939352

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

C5H3Cl2IN2

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1cnc(Cl)nc1Cl)c1ccc(OC)c(OC)c1

HCID21044302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-165bd1b5ac2949599a3f892b4553a3a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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