HRID2335303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID13345

Triethyl phosphonoacetate

C8H17O5P

HCID166653

Hydride

H-

结构：O=C1c2ccc(C(F)(F)F)cc2C(O)N1CC(F)(F)F

HCID17966419

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC1c2cc(C(F)(F)F)ccc2C(=O)N1CC(F)(F)F

HCID57678949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3c94ec4b7a145ba90e90422086919b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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