HRID158142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID13440628

2-Methyl-3-morpholinone

C5H9NO2

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=Cc2ccccc2OCCCCCN2CCOC(C)C2=O)Cc2ccc(C(=O)OC)cc2)cc1

HCID68480289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b5dd6a4039540968a7e85421d05ee3a
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][CH:2]1[O:3][CH2:4][CH2:5][NH:6][C:7]1=[O:8].[Cl-:50].[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].[NH4+:51].[Na+:10].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[CH3:1][CH:2]1[O:3][CH2:4][CH2:5][N:6]([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)[C:7]1=[O:8]