HRID2339236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

HCID1118

Sulfuric acid

H2O4S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10908

tert-Butyl acetate

C6H12O2

HCID73216

4-Thiazolecarboxylic acid, 2-amino-, ethyl ester

C6H8N2O2S

HCID166653

Hydride

H-

HCID3028194

Lithium

HCID22224770

未命名化合物

HCID22224920

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2nc(C(=O)CC(=O)OC(C)(C)C)cs2)cn1

HCID69592842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be5f651355324e2fa24a056cf55e9cfe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:47]([CH3:48])(=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54].[C:56]([OH:57])(=[O:58])[CH3:59].[CH3:1][c:2]1[n:3][cH:4][n:5](-[c:7]2[s:8][cH:9][c:10]([C:12]([O:14][CH2:13][CH3:15])=[O:16])[n:11]2)[cH:6]1.[CH3:60][CH2:61][OH:62].[H-:29].[Li:55].[N:30]([CH:31]([CH3:32])[CH:33]([O:34][CH3:35])[O:36][CH3:37])=[C:38]=[S:39].[NH2:17][c:18]1[s:19][cH:20][c:21]([C:22]([O:23][CH2:24][CH3:25])=[O:26])[n:27]1.[Na+:28].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:45][OH:46].[S:40](=[O:41])(=[O:42])([OH:43])[OH:44]>>[CH3:1][c:2]1[n:3][cH:4][n:5](-[c:7]2[s:8][cH:9][c:10]([C:12](=[O:14])[CH2:48][C:47](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])[n:11]2)[cH:6]1