HRID159630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID78421

2-Mercaptoisobutyric acid

C4H8O2S

HCID12897183

未命名化合物

HCID13371484

1-(2-Aminoethyl)cyclohexanol

C8H17NO

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(CCCC2SC(C)(C)C(=O)N2CCC2(O)CCCCC2)cc1

HCID23339601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-162a0b8721504a0cad851908a256dd2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[NH2:17][CH2:18][CH2:19][C:20]1([OH:26])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[O:1]=[CH:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:15][cH:16]1.[OH2:34].[SH:27][C:28]([C:29](=[O:30])[OH:31])([CH3:32])[CH3:33]>>[CH:2]1([CH2:3][CH2:4][CH2:5][c:6]2[cH:7][cH:8][c:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:15][cH:16]2)[N:17]([CH2:18][CH2:19][C:20]2([OH:26])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[C:29](=[O:30])[C:28]([CH3:32])([CH3:33])[S:27]1