HRID87523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID235698

5-Fluorobenzimidazole

C7H5FN2

结构：NC(=O)c1sc(-n2cnc3ccccc32)nc1OCc1ccccc1C(F)(F)F

HCID11538969

未命名化合物

HCID57756681

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1sc(-n2cnc3ccc(F)cc32)nc1OCc1ccccc1C(F)(F)F

HCID11704773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d019f2ca4f5d45468318bac153034164
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Cl:30][c:31]1[s:32][c:33]([C:34]([NH2:35])=[O:36])[c:37]([O:38][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][c:46]2[C:47]([F:45])([F:48])[F:49])[n:50]1.[F:51][c:52]1[cH:53][cH:54][c:55]2[n:56][cH:57][nH:58][c:59]2[cH:60]1.[K+:61].[K+:62].[O-:63][C:64]([O-:65])=[O:66].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[n:1]1(-[c:10]2[s:11][c:12]([C:27](=[O:28])[NH2:29])[c:13]([O:15][CH2:16][c:17]3[c:18]([C:23]([F:24])([F:25])[F:26])[cH:19][cH:20][cH:21][cH:22]3)[n:14]2)[cH:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1(-[c:10]2[s:11][c:12]([C:27](=[O:28])[NH2:29])[c:13]([O:15][CH2:16][c:17]3[c:18]([C:23]([F:24])([F:25])[F:26])[cH:19][cH:20][cH:21][cH:22]3)[n:14]2)[cH:2][n:3][c:4]2[c:5]1[cH:6][c:7]([F:45])[cH:8][cH:9]2