HRID1561870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8078

Cyclohexane

C6H12

HCID9256

Thiazole

C3H3NS

结构：CON(C)C(=O)c1nc(C(C)(C)C)c(O)c(C(C)(C)C)n1

HCID10040170

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc(C(=O)c2nccs2)nc(C(C)(C)C)c1O

HCID19779332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f0ca91958f54d9398185954c43f96b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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