HRID296268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID313

Hydrochloric Acid

ClH

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

HCID961

Hydroxide

HO-

HCID4592697

2-Oxo-3-phenylpropanoate

C9H7O3-

PRODUCTS

生成物

HCID994

DL-Phenylalanine

C9H11NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ad3b4e39b5546d69cea25db0549b79c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[ClH:60].[NH2:1][C:2]([C:3]1=[CH:43][N:7]([CH:8]2[CH:9]([OH:10])[CH:11]([OH:12])[CH:13]([CH2:14][O:15][P:16]([O:17][P:18]([O:19][CH2:20][CH:21]3[CH:22]([OH:23])[CH:24]([OH:25])[CH:26]([n:27]4[c:28]5[c:29]([c:30]([NH2:34])[n:31][cH:32][n:33]5)[n:35][cH:36]4)[O:37]3)(=[O:38])[OH:39])(=[O:40])[OH:41])[O:42]2)[CH:6]=[CH:5][CH2:4]1)=[O:44].[NH4+:59].[Na+:57].[OH-:58].[c:45]1([CH2:51][C:52]([C:53](=[O:54])[O-:55])=[O:56])[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[NH2:1][CH:52]([CH2:51][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[C:53](=[O:54])[OH:55]