HRID1117933

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID4573116

未命名化合物

结构：CCOC(=O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(Br)cc3)n2)c1C(F)(F)F

HCID67159752

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(C=Cc4ccc(C(F)(F)F)cc4)cc3)n2)c1C(F)(F)F

HCID91502926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cc2111750724c538b044676802c96f4
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[c:9](-[c:14]3[cH:15][cH:16][cH:17][c:18](-[n:20]4[n:21][cH:22][c:23]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[c:24]4[C:25]([F:26])([F:27])[F:28])[n:19]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:34][cH:35]1.[CH3:57][C:58]#[N:59].[F:36][C:37]([c:38]1[cH:39][cH:40][c:41]([CH:44]=[CH:45][B:46]([OH:47])[OH:48])[cH:42][cH:43]1)([F:49])[F:50].[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56]>>[c:2]1([CH:45]=[CH:44][c:41]2[cH:40][cH:39][c:38]([C:37]([F:36])([F:49])[F:50])[cH:43][cH:42]2)[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[c:9](-[c:14]3[cH:15][cH:16][cH:17][c:18](-[n:20]4[n:21][cH:22][c:23]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[c:24]4[C:25]([F:26])([F:27])[F:28])[n:19]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:34][cH:35]1