HRID305516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID58456224

未命名化合物

结构：CC1(C)OB(c2cc(Nc3nccc(C(F)(F)F)n3)ccc2F)OC1(C)C

HCID67258663

未命名化合物

PRODUCTS

生成物

结构：OC1(c2ncc(-c3cc(Nc4nccc(C(F)(F)F)n4)ccc3F)s2)CCC1

HCID58456415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1e337a146a440a3bea9ec652d18110a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:34][c:35]1[cH:36][n:37][c:38]([C:40]2([OH:44])[CH2:41][CH2:42][CH2:43]2)[s:39]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[F:1][c:2]1[c:3]([B:19]2[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]2)[cH:4][c:5]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[n:14]2)[cH:6][cH:7]1.[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[F:1][c:2]1[c:3](-[c:35]2[cH:36][n:37][c:38]([C:40]3([OH:44])[CH2:41][CH2:42][CH2:43]3)[s:39]2)[cH:4][c:5]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[n:14]2)[cH:6][cH:7]1