HRID184346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID887

Methanol

CH4O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

结构：O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)C(Cl)c1ccccc1

HCID21837022

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1

HCID21837078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e48e08f67044f4a807d0c6ce1572ae5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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