HRID208528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID7918

Acetic anhydride

C4H6O3

结构：CCOC(=O)C1NCCc2nc(CC)n(Cc3ccc(-c4ccccc4C(=O)OC(C)(C)C)cc3)c21

HCID19932990

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1c2c(nc(CC)n2Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2)CCN1C(C)=O

HCID19932999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9613f03bece64ec7bbf50ee1126c2e56
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:44](=[O:45])([O-:46])[OH:47].[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:16]1[CH2:17][c:18]1[cH:19][cH:20][c:21](-[c:24]3[c:25]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[cH:26][cH:27][cH:28][cH:29]3)[cH:22][cH:23]1)[CH:7]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[NH:8][CH2:9][CH2:10]2.[CH3:37][C:38](=[O:39])[O:40][C:41](=[O:42])[CH3:43].[CH:49]([Cl:50])([Cl:51])[Cl:52].[Na+:48].[OH2:53]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:16]1[CH2:17][c:18]1[cH:19][cH:20][c:21](-[c:24]3[c:25]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[cH:26][cH:27][cH:28][cH:29]3)[cH:22][cH:23]1)[CH:7]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[N:8]([C:38]([CH3:37])=[O:39])[CH2:9][CH2:10]2