HRID1140184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID2155

2-Aminothiazole

C3H4N2S

HCID8857

Ethyl acetate

C4H8O2

HCID2724942

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(C=O)(C2CCCCC2)CC1

HCID21936875

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CNc2nccs2)(C2CCCCC2)CC1

HCID21023778

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce2230d64727493a813c5b1485c82638
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([CH:14]=[O:15])([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[CH2:12][CH2:13]1.[C:28]([O:29][BH-:30]([O:31][C:32](=[O:33])[CH3:34])[O:35][C:36](=[O:37])[CH3:38])(=[O:39])[CH3:40].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[NH2:22][c:23]1[s:24][cH:25][cH:26][n:27]1.[Na+:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([CH2:14][NH:22][c:23]2[s:24][cH:25][cH:26][n:27]2)([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[CH2:12][CH2:13]1