HRID1204812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID962

Water

H2O

2 次

反应SMILES：CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O

HCID2269

未命名化合物

PRODUCTS

产物

HCID424

DL-Aspartic acid

C4H7NO4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ffbd8f27ccef4d5f92bd895df59d4d71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[C:2]([CH2:3][C:4]([CH2:5][C:9]([OH:10])=[O:11])([C:6](=[O:7])[OH:8])[OH:12])(=[O:13])[OH:14].[CH3:15][CH2:16][CH:17]1[C:18]([OH:19])([CH3:20])[CH:21]([OH:22])[CH:23]([CH3:24])[N:25]([CH3:26])[CH2:27][CH:28]([CH3:29])[CH2:30][C:31]([OH:32])([CH3:33])[CH:34]([O:35][CH:36]2[CH:37]([OH:38])[CH:39]([N:48]([CH3:40])[CH3:41])[CH2:42][CH:43]([CH3:44])[O:45]2)[CH:46]([CH3:47])[CH:49]([O:50][CH:51]2[O:52][CH:53]([CH3:54])[CH:55]([OH:56])[C:57]([O:58][CH3:59])([CH3:60])[CH2:61]2)[CH:62]([CH3:63])[C:64](=[O:65])[O:66]1.[OH2:1].[OH2:67]>>[C:2]([CH2:3][CH:4]([C:6](=[O:7])[OH:8])[NH2:48])(=[O:13])[OH:14]