HRID195116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID243511

4-Chloro-5-methoxy-2-(methylsulfanyl)pyrimidine

C6H7ClN2OS

结构：CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2B2OC(C)(C)C(C)(C)O2)nc1

HCID86626856

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2-c2nc(SC)ncc2OC)nc1

HCID86626861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0be810e7d31944ac924c1013a9216369
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

[C:63](=[O:64])([O-:65])[O-:66].[CH2:73]1[O:74][CH2:75][CH2:76][O:77][CH2:78]1.[CH:69]([Cl:70])([Cl:71])[Cl:72].[Cl:52][c:53]1[n:54][c:55]([S:61][CH3:62])[n:56][cH:57][c:58]1[O:59][CH3:60].[Cs+:67].[Cs+:68].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:12][n:13]2)[CH2:23][c:24]2[c:25]([B:34]3[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]3)[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]1)([F:50])[F:51].[OH2:79]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:12][n:13]2)[CH2:23][c:24]2[c:25](-[c:53]3[n:54][c:55]([S:61][CH3:62])[n:56][cH:57][c:58]3[O:59][CH3:60])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]1)([F:50])[F:51]