HRID2133430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID13345

Triethyl phosphonoacetate

C8H17O5P

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(OCC(=O)N2CC(C)N(Cc3ccc(F)cc3)CC2C)c(C=O)n1

HCID21973476

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1nc(C)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C

HCID178471176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21e04b81e4a84727a81adf5774a1a164
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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