HRID102192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID70770

Ethyl 4-piperidinecarboxylate

C8H15NO2

结构：COc1ccc(CNc2nc(Cl)nc3ccc(C#N)cc23)cc1Cl

HCID21184004

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(c2nc(NCc3ccc(OC)c(Cl)c3)c3cc(C#N)ccc3n2)CC1

HCID21183926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f442ff67e70d40cb8b3ce05352f3d5a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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