HRID158549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID549404

Ethyl 1H-imidazole-2-carboxylate

C6H8N2O2

结构：CS(=O)(=O)OCCCCc1ccc(OCc2coc(C=Cc3ccccc3)n2)cc1

HCID54012711

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nccn1CCCCc1ccc(OCc2coc(C=Cc3ccccc3)n2)cc1

HCID69557114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c69cdaf3124a476a9bf0128925f14c1f
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

[C:41](=[O:42])([O-:43])[O-:44].[CH3:1][S:2]([O:3][CH2:6][CH2:7][CH2:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH2:17][c:18]2[n:19][c:20]([CH:23]=[CH:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[o:21][cH:22]2)[cH:14][cH:15]1)(=[O:4])=[O:5].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[K+:45].[K+:46].[OH2:52].[nH:31]1[c:32]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[n:33][cH:34][cH:35]1>>[CH2:6]([CH2:7][CH2:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH2:17][c:18]2[n:19][c:20]([CH:23]=[CH:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[o:21][cH:22]2)[cH:14][cH:15]1)[n:31]1[c:32]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[n:33][cH:34][cH:35]1