HRID1216729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCCCCCCN(CCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1)c1ncc(C(=O)OC)cc1Cl

HCID59759248

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCN(CCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1)c1ncc(C(=O)O)cc1Cl

HCID67398545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d1bd18fce0b431289257962db8c4655
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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