HRID697552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID58071321

未命名化合物

HCID59854518

未命名化合物

PRODUCTS

生成物

结构：CCP1(=O)CCN(C(=O)Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1

HCID57925996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f19f8593d6224e739294cc14e92fee7c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[c:18]1[cH:19][cH:20][c:21]([CH2:24][C:25](=[O:26])[OH:27])[cH:22][cH:23]1.[CH2:28]([Cl:29])[CH2:30][Cl:31].[CH2:2]([CH3:3])[P:4]1(=[O:10])[CH2:5][CH2:6][NH:7][CH2:8][CH2:9]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[ClH:1].[Na+:60].[O-:56][C:57]([OH:58])=[O:59].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[CH2:2]([CH3:3])[P:4]1(=[O:10])[CH2:5][CH2:6][N:7]([C:25]([CH2:24][c:21]2[cH:20][cH:19][c:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[cH:23][cH:22]2)=[O:26])[CH2:8][CH2:9]1