HRID671005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6340

Ethane, iodo-

C2H5I

HCID31374

Dimethylacetamide

C4H9NO

结构：O=C(CN1C(=O)C(NC(CCc2ccccc2)C(=O)O)CCc2ccccc21)OCc1ccccc1

HCID20244745

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CCc1ccccc1)NC1CCc2ccccc2N(CC(=O)OCc2ccccc2)C1=O

HCID20244751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4006694649344d18890c5d26c23b7a8
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:37](=[O:38])([OH:39])[O-:40].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH2:11][N:12]1[C:13](=[O:36])[CH:14]([NH:23][CH:24]([CH2:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[C:33](=[O:34])[OH:35])[CH2:15][CH2:16][c:17]2[c:18]1[cH:19][cH:20][cH:21][cH:22]2.[CH2:42]([CH3:43])[I:44].[CH3:45][C:46]([N:47]([CH3:48])[CH3:49])=[O:50].[Na+:41]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH2:11][N:12]1[C:13](=[O:36])[CH:14]([NH:23][CH:24]([CH2:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[C:33](=[O:34])[O:35][CH2:42][CH3:43])[CH2:15][CH2:16][c:17]2[c:18]1[cH:19][cH:20][cH:21][cH:22]2