HRID137521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID13345

Triethyl phosphonoacetate

C8H17O5P

HCID166653

Hydride

H-

结构：CCCOc1c(-c2cccc3sc(C(C)=O)cc23)cc(C(C)C)cc1C(C)C

HCID17952709

未命名化合物

PRODUCTS

生成物

结构：CCCOc1c(-c2cccc3sc(C(C)=CC(=O)OCC)cc23)cc(C(C)C)cc1C(C)C

HCID69219666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-110d2397045041de90501df207eab50f
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:17]([CH3:18])(=[O:19])[c:20]1[cH:21][c:22]2[c:23]([s:24]1)[cH:25][cH:26][cH:27][c:28]2-[c:29]1[c:30]([O:41][CH2:42][CH2:43][CH3:44])[c:31]([CH:38]([CH3:39])[CH3:40])[cH:32][c:33]([CH:35]([CH3:36])[CH3:37])[cH:34]1.[CH3:3][CH2:4][O:5][C:6](=[O:7])[CH2:8][P:9]([O:10][CH2:11][CH3:12])([O:13][CH2:14][CH3:15])=[O:16].[H-:2].[Na+:1].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:45]>>[CH3:3][CH2:4][O:5][C:6](=[O:7])[CH:8]=[C:17]([CH3:18])[c:20]1[cH:21][c:22]2[c:23]([s:24]1)[cH:25][cH:26][cH:27][c:28]2-[c:29]1[c:30]([O:41][CH2:42][CH2:43][CH3:44])[c:31]([CH:38]([CH3:39])[CH3:40])[cH:32][c:33]([CH:35]([CH3:36])[CH3:37])[cH:34]1