HRID158717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7953

2,4,6-Trimethylpyridine

C8H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

HCID13713019

未命名化合物

HCID66030513

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)NC1CCC(C(=O)N(C)c2ccc(-c3nc4ccccc4n3C)cc2)C1

HCID76392010

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34486b46699b4839ad8007547ea0af92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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