HRID311535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID81646

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

C6H12N2O

HCID166653

Hydride

H-

HCID43166776

5-Methyl-3-(4-methylphenyl)-1H-1,2,4-triazole

C10H11N3

HCID57429079

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2nc(C)n(CCC(C)(C)NC(=O)OC(C)(C)C)n2)cc1

HCID69538809

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-160f481883e14fba9ab7ad721506b499
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:41]([N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[CH3:31][N:32]1[CH2:33][CH2:34][CH2:35][N:36]([CH3:37])[C:38]1=[O:39].[CH3:3][c:4]1[n:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH3:15])[cH:13][cH:14]2)[n:7][nH:8]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:16][CH2:17][CH2:18][C:19]([CH3:20])([CH3:21])[NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29].[H-:1].[I-:40].[Na+:2].[OH2:30]>>[CH3:3][c:4]1[n:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH3:15])[cH:13][cH:14]2)[n:7][n:8]1[CH2:17][CH2:18][C:19]([CH3:20])([CH3:21])[NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29]