HRID194505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID14706449

1-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole

C12H11F2N3O

HCID135416175

7-chloroquinazolin-4-ol

C8H5ClN2O

PRODUCTS

生成物

结构：CC(n1cnc2cc(Cl)ccc2c1=O)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID18766909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5593fa0839948928b37d4e8571ba594
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

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