HRID166484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID12867748

1-Methyltetrahydropyrimidin-2(1H)-one

C5H10N2O

结构：COC(=O)c1ccc(CCC(C=Cc2ccccc2OCCCCCCl)Cc2ccc(C(=O)OC)cc2)cc1

HCID68483332

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CCC(C=Cc2ccccc2OCCCCCN2CCCN(C)C2=O)Cc2ccc(C(=O)OC)cc2)cc1

HCID68477834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c041baf941a4f4ca0614d1f4ac6b821
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

[CH3:1][N:2]1[C:3](=[O:8])[NH:4][CH2:5][CH2:6][CH2:7]1.[Cl-:52].[Cl:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][O:17][c:18]1[c:19]([CH:24]=[CH:25][CH:26]([CH2:27][CH2:28][c:29]2[cH:30][cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]2)[CH2:39][c:40]2[cH:41][cH:42][c:43]([C:46](=[O:47])[O:48][CH3:49])[cH:44][cH:45]2)[cH:20][cH:21][cH:22][cH:23]1.[H-:9].[I-:51].[K+:50].[NH4+:53].[Na+:10].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[CH3:1][N:2]1[C:3](=[O:8])[N:4]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][O:17][c:18]2[c:19]([CH:24]=[CH:25][CH:26]([CH2:27][CH2:28][c:29]3[cH:30][cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]3)[CH2:39][c:40]3[cH:41][cH:42][c:43]([C:46](=[O:47])[O:48][CH3:49])[cH:44][cH:45]3)[cH:20][cH:21][cH:22][cH:23]2)[CH2:5][CH2:6][CH2:7]1