HRID148500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID13345

Triethyl phosphonoacetate

C8H17O5P

HCID166653

Hydride

H-

结构：Cc1cccc(-c2nc(CCOc3ccc(C=O)cc3)c(C)o2)c1

HCID11056337

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(OCCc2nc(-c3cccc(C)c3)oc2C)cc1

HCID54363236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-913c0c97b2c84b8e9e4331593891e2d4
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

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