HRID1233379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1048

Pyrazole

C3H4N2

HCID6342

Acetonitrile

C2H3N

HCID7200

Salicylaldehyde oxime

C7H7NO2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1cn(-c2cc(I)ccc2F)nc(-c2ccnn2-c2ccccc2)c1=O

HCID58072208

未命名化合物

PRODUCTS

生成物

结构：COc1cn(-c2cc(-n3cccn3)ccc2F)nc(-c2ccnn2-c2ccccc2)c1=O

HCID58072287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7818f16827d4a7382478a2c6b84e53c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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