HRID308483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID101920

3-Hydroxypyridine-2-carbonitrile

C6H4N2O

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Cl)ncnc32)CC1

HCID57964905

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4cccnc4C#N)ncnc32)CC1

HCID57964952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-824996e536ee4382b70d3f87d740c31c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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