HRID1125622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

7 次

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6344

Dichloromethane

CH2Cl2

HCID58456368

未命名化合物

HCID71440607

未命名化合物

PRODUCTS

产物

HCID58456232

N-{3-[2-(4-fluoro-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1,3-thiazol-5-yl]-5-methylphenyl}-4-(trifluoromethyl)pyrimidin-2-amine

C20H18F4N4O2S2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-22f8688a00534a959c778505d74ef357
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:37]([O:38][O-:39])(=[O:40])[c:41]1[c:42]([C:47]([O-:48])=[O:49])[cH:43][cH:44][cH:45][cH:46]1.[CH3:54][OH:55].[Cl:51][CH2:52][Cl:53].[F:1][C:2]1([c:8]2[s:9][c:10](-[c:13]3[cH:14][c:15]([NH:20][c:21]4[n:22][cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[n:26]4)[cH:16][c:17]([CH3:19])[cH:18]3)[cH:11][n:12]2)[CH2:3][CH2:4][S:5][CH2:6][CH2:7]1.[Mg+2:50].[Na+:56].[Na+:57].[O-:58][S:59]([O-:60])(=[S:61])=[O:62].[OH2:31].[OH2:32].[OH2:33].[OH2:34].[OH2:35].[OH2:36].[OH2:63]>>[F:1][C:2]1([c:8]2[s:9][c:10](-[c:13]3[cH:14][c:15]([NH:20][c:21]4[n:22][cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[n:26]4)[cH:16][c:17]([CH3:19])[cH:18]3)[cH:11][n:12]2)[CH2:3][CH2:4][S:5](=[O:31])(=[O:32])[CH2:6][CH2:7]1