HRID2123748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID93192

3-Azetidinecarboxylic acid

C4H7NO2

结构：CCOC(=O)c1noc(C(CCCC2CCCCC2)CC(=O)OC(C)(C)C)n1

HCID22480856

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CC(CCCC1CCCCC1)c1nc(C(=O)N2CC(C(=O)O)C2)no1

HCID20789400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87d7aa743dd44a85b9b62b8d35fc7d56
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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