HRID1218147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID6344

Dichloromethane

CH2Cl2

HCID2764301

4-[(Oxiran-2-yl)methoxy]benzonitrile

C10H9NO2

HCID22490264

未命名化合物

PRODUCTS

生成物

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

结构：CC(C)(C)OC(=O)N1CC2CC(CN(CC(O)COc3ccc(C#N)cc3)C2)C1

HCID53796099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a036779a1c0349ac839d1c2af6c914c5
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:30]([CH:31]([OH:32])[CH:33]([OH:34])[C:35](=[O:36])[OH:37])(=[O:38])[OH:39].[CH:14]12[CH2:15][N:16]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:17][CH:18]([CH2:19][NH:20][CH2:21]1)[CH2:22]2.[Cl:40][CH2:41][Cl:42].[O:1]1[CH:2]([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]2)[CH2:3]1>>[C:30]([CH:31]([OH:32])[CH:33]([OH:34])[C:35](=[O:36])[OH:37])(=[O:38])[OH:39].[OH:1][CH:2]([CH2:3][N:20]1[CH2:19][CH:18]2[CH2:17][N:16]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:15][CH:14]([CH2:21]1)[CH2:22]2)[CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]1