HRID677405

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

HCID6344

Dichloromethane

CH2Cl2

结构：COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCC1CCN(C(=O)OC(C)(C)C)CC1

HCID11027693

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCC1CCNCC1

HCID11732493

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb6e890926f943bbbd384f3c31f98eb6
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:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][O:16][c:17]2[c:18]([O:36][CH3:37])[cH:19][c:20]3[c:21](=[O:35])[n:22]([CH2:27][O:28][C:29]([C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[cH:23][n:24][c:25]3[cH:26]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:39](=[O:40])([O-:41])[OH:42].[CH2:44]([Cl:45])[Cl:46].[Na+:43].[OH2:38]>>[NH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][O:16][c:17]2[c:18]([O:36][CH3:37])[cH:19][c:20]3[c:21](=[O:35])[n:22]([CH2:27][O:28][C:29]([C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[cH:23][n:24][c:25]3[cH:26]2)[CH2:12][CH2:13]1