HRID208116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6386

tert-Butyl alcohol

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID11472

4-Pyridinemethanol

C6H7NO

HCID15524001

未命名化合物

HCID178443688

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2nsnc2OCc2ccncc2)CC1

HCID59013962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e00ea3c3748c4933bf65d39ac935ecac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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