HRID197151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID97632

Methanesulfonamide, N-methyl-

C2H7NO2S

结构：COC(=O)c1c(-c2ccc(F)cc2)nc(OS(=O)(=O)c2ccc(C)cc2)nc1C(C)C

HCID17989602

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C

HCID9929821

Methyl 4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidine-5-carboxylate

C17H20FN3O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8588684f4a345b1bd7884d83b72a230
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

[Br-:51].[C:38](=[O:39])([O-:40])[O-:41].[CH3:32][NH:33][S:34](=[O:35])(=[O:36])[CH3:37].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:52][CH2:53][CH2:54][CH2:55][N+:56]([CH2:57][CH2:58][CH2:59][CH3:60])([CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH2:67][CH3:68].[CH3:69][C:70](=[O:71])[CH3:72].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([O:21][S:22]([c:23]3[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]3)(=[O:30])=[O:31])[n:11][c:12]([CH:18]([CH3:19])[CH3:20])[c:13]2[C:14](=[O:15])[O:16][CH3:17])[cH:6][cH:7]1.[K+:42].[K+:43].[OH2:73]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:33]([CH3:32])[S:34](=[O:35])(=[O:36])[CH3:37])[n:11][c:12]([CH:18]([CH3:19])[CH3:20])[c:13]2[C:14](=[O:15])[O:16][CH3:17])[cH:6][cH:7]1