HRID136205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)c1ccc(-c2cc(I)c(OC)cc2F)c(F)c1

HCID57704843

未命名化合物

结构：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1

HCID76598402

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3CN3C(=O)OC(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3C)c(OC)cc2F)c(F)c1

HCID178497460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f333ec383556411eb7fe2a8e1ac48517
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:70]1[O:71][CH2:72][CH2:73][O:74][CH2:75]1.[CH4:22].[F:1][c:2]1[c:3](-[c:12]2[c:13]([F:21])[cH:14][c:15]([O:19][CH3:20])[c:16]([I:18])[cH:17]2)[cH:4][cH:5][c:6]([C:8](=[O:9])[O:10][CH3:11])[cH:7]1.[F:23][C:24]([c:25]1[cH:26][c:27]([CH:35]2[CH:36]([CH3:61])[N:37]([CH2:41][c:42]3[c:43]([B:52]4[O:53][C:54]([CH3:55])([CH3:56])[C:57]([CH3:58])([CH3:59])[O:60]4)[cH:44][cH:45][c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]3)[C:38](=[O:40])[O:39]2)[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:62])[F:63].[Na+:64].[Na+:65].[O-:66][C:67](=[O:68])[O-:69]>>[F:1][c:2]1[c:3](-[c:12]2[c:13]([F:21])[cH:14][c:15]([O:19][CH3:20])[c:16](-[c:43]3[c:42]([CH2:41][N:37]4[CH:36]([CH3:61])[CH:35]([c:27]5[cH:26][c:25]([C:24]([F:23])([F:62])[F:63])[cH:30][c:29]([C:31]([F:32])([F:33])[F:34])[cH:28]5)[O:39][C:38]4=[O:40])[cH:47][c:46]([C:48]([F:49])([F:50])[F:51])[cH:45][cH:44]3)[cH:17]2)[cH:4][cH:5][c:6]([C:8](=[O:9])[O:10][CH3:11])[cH:7]1