HRID821881

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8083

Morpholine

C4H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID498716

未命名化合物

结构：COc1ccc(Nc2ncc(C=O)cc2-c2nc(C)nc(SC)n2)cn1

HCID86647049

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(SC)n2)cn1

HCID66612061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a635642fe384a3dbf29a67f08d891c6
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:40]([BH3-:41])#[N:42].[C:7]([OH:8])(=[O:9])[CH3:10].[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][NH:6]1.[CH3:11][O:12][c:13]1[cH:14][cH:15][c:16]([NH:19][c:20]2[n:21][cH:22][c:23]([CH:24]=[O:25])[cH:26][c:27]2-[c:28]2[n:29][c:30]([S:35][CH3:36])[n:31][c:32]([CH3:34])[n:33]2)[cH:17][n:18]1.[CH3:37][CH2:38][OH:39].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Na+:43].[OH2:44]>>[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][N:6]1[CH2:24][c:23]1[cH:22][n:21][c:20]([NH:19][c:16]2[cH:15][cH:14][c:13]([O:12][CH3:11])[n:18][cH:17]2)[c:27](-[c:28]2[n:29][c:30]([S:35][CH3:36])[n:31][c:32]([CH3:34])[n:33]2)[cH:26]1