HRID203899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID11472

4-Pyridinemethanol

C6H7NO

HCID21908991

未命名化合物

HCID178443688

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)OC(C)(C)C)CCN1c1nccnc1OCc1ccncc1

HCID59013943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-080e6e4108c44852b08bbc56429b0a56
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][CH:10]([CH3:21])[N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2[Cl:20])[CH2:12][CH2:13]1.[C:30]([CH2:31][CH2:32][CH2:33][CH2:34][O-:35])([CH3:36])([CH3:37])[CH3:38].[C:40]([OH:41])([CH3:42])([CH3:43])[CH3:44].[K+:39].[OH2:45].[n:22]1[cH:23][cH:24][c:25]([CH2:28][OH:29])[cH:26][cH:27]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH3:21])[N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2[O:29][CH2:28][c:25]2[cH:24][cH:23][n:22][cH:27][cH:26]2)[CH2:12][CH2:13]1