HRID121091

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

HCID601221

5,6-Dimethoxybenzimidazole

C9H10N2O2

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：COc1cc2ncn(-c3nc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC

HCID11386033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e6c1494e9da471eaadafd07348ee1cb
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

[CH3:51][O:52][c:53]1[cH:54][c:55]2[c:56]([n:57][cH:58][nH:59]2)[cH:60][c:61]1[O:62][CH3:63].[Cl:30][c:31]1[s:32][c:33]([C:48](=[O:49])[NH2:50])[c:34]([O:36][CH2:37][c:38]2[c:39]([C:44]([F:45])([F:46])[F:47])[cH:40][cH:41][cH:42][cH:43]2)[n:35]1.[K+:64].[K+:65].[O-:66][C:67]([O-:68])=[O:69].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[n:1]1(-[c:2]2[s:3][c:4]([C:5]([NH2:6])=[O:7])[c:8]([O:9][CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[C:17]([F:18])([F:19])[F:20])[n:21]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[n:28][cH:29]1>>[c:31]1(-[n:59]2[c:55]3[cH:54][c:53]([O:52][CH3:51])[c:61]([O:62][CH3:63])[cH:60][c:56]3[n:57][cH:58]2)[s:32][c:33]([C:48](=[O:49])[NH2:50])[c:34]([O:36][CH2:37][c:38]2[c:39]([C:44]([F:45])([F:46])[F:47])[cH:40][cH:41][cH:42][cH:43]2)[n:35]1