HRID2340781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID70496

4-Amino-6-chloro-2-methylthiopyrimidine

C5H6ClN3S

HCID104967

Cesium(1+)

Cs+

2 次

结构：Oc1ccc(-c2nnc(Nc3cccc(C(F)(F)F)c3)[nH]2)cc1

HCID178515914

未命名化合物

PRODUCTS

生成物

结构：CSc1nc(N)cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)[nH]3)cc2)n1

HCID178503502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cd24dbe69f6499ea96c789a5cc0cbd7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:24](=[O:25])([O-:26])[O-:27].[CH3:40][OH:41].[Cs+:28].[Cs+:29].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:9][c:10]2[nH:11][c:12](-[c:15]3[cH:16][cH:17][c:18]([OH:21])[cH:19][cH:20]3)[n:13][n:14]2)[cH:6][cH:7][cH:8]1)([F:22])[F:23].[NH2:30][c:31]1[n:32][c:33]([S:38][CH3:39])[n:34][c:35]([Cl:37])[cH:36]1.[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:9][c:10]2[nH:11][c:12](-[c:15]3[cH:16][cH:17][c:18]([O:21][c:35]4[n:34][c:33]([S:38][CH3:39])[n:32][c:31]([NH2:30])[cH:36]4)[cH:19][cH:20]3)[n:13][n:14]2)[cH:6][cH:7][cH:8]1)([F:22])[F:23]