HRID1121216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9257

1H-1,2,4-Triazole

C2H3N3

HCID19660

Carbonate

CO3-2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID178436814

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccncn1)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID22323347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3242d61a2524afd8172c1e38dc4afa1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:35](=[O:36])([O-:37])[O-:38].[CH3:1][S:2](=[O:3])(=[O:4])[Cl:5].[CH3:51][OH:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[F:6][c:7]1[c:8]([C:14]([CH2:15][OH:16])([CH:17]([CH3:18])[c:19]2[n:20][cH:21][n:22][cH:23][cH:24]2)[OH:25])[cH:9][cH:10][c:11]([F:13])[cH:12]1.[K+:39].[K+:40].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[nH:41]1[n:42][cH:43][n:44][cH:45]1>>[F:6][c:7]1[c:8]([C:14]([CH2:15][n:41]2[n:42][cH:43][n:44][cH:45]2)([CH:17]([CH3:18])[c:19]2[n:20][cH:21][n:22][cH:23][cH:24]2)[OH:25])[cH:9][cH:10][c:11]([F:13])[cH:12]1