HRID2148437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID283

Formic acid, ion(1-)

CHO2-

HCID813

Potassium cation

K+

3 次

HCID923

Sodium ion

Na+

结构：NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1

HCID928

CERAPP_26258

C21H29N7O14P2

HCID1050

Pyridoxal

C8H9NO3

HCID1061

Phosphate

O4P-3

2 次

HCID91435

Lactate ion(1-)

C3H5O3-

HCID107735

Pyruvate

C3H3O3-

HCID14278600

5,5,5-Trifluoro-2-oxopentanoic acid

C5H5F3O3

PRODUCTS

生成物

HCID253377

5,5,5-Trifluoronorvaline

C5H8F3NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-726083961fa84589a1f346aa9079f986
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

[CH3:1][C:2]([C:3](=[O:4])[O-:5])=[O:6].[CH3:7][CH:8]([C:9](=[O:10])[O-:11])[OH:12].[CH:68]([c:69]1[c:70]([OH:71])[c:72]([CH3:73])[n:74][cH:75][c:76]1[CH2:77][OH:78])=[O:79].[CH:85]([O-:86])=[O:87].[F:57][C:58]([CH2:59][CH2:60][C:61]([C:62](=[O:63])[OH:64])=[O:65])([F:66])[F:67].[K+:94].[K+:95].[K+:96].[NH2:13][C:14]([C:15]1=[CH:55][N:19]([CH:20]2[CH:21]([OH:22])[CH:23]([OH:24])[CH:25]([CH2:26][O:27][P:28]([O:29][P:30]([O:31][CH2:32][CH:33]3[CH:34]([OH:35])[CH:36]([OH:37])[CH:38]([n:39]4[c:40]5[c:41]([c:42]([NH2:46])[n:43][cH:44][n:45]5)[n:47][cH:48]4)[O:49]3)(=[O:50])[OH:51])(=[O:52])[OH:53])[O:54]2)[CH:18]=[CH:17][CH2:16]1)=[O:56].[Na+:88].[O-:80][P:81](=[O:82])([O-:83])[O-:84].[P:89]([O-:90])([O-:91])([O-:92])=[O:93]>>[NH2:13][CH:61]([CH2:60][CH2:59][C:58]([F:57])([F:66])[F:67])[C:62](=[O:63])[OH:64]