HRID1146247

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

HCID12025

2-Pyrrolidinone

C4H7NO

HCID166653

Hydride

H-

结构：COC(=O)c1ccc(CCC(C=Cc2ccccc2OCCCCCl)Cc2ccc(C(=O)OC)cc2)cc1

HCID68480294

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CCC(C=Cc2ccccc2OCCCCN2CCCC2=O)Cc2ccc(C(=O)OC)cc2)cc1

HCID68477611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-342e47cddae743e9b4fb33482bbbea3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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