HRID1561224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID675

5,6-Dimethylbenzimidazole

C9H10N2

HCID6228

N,N-Dimethylformamide

C3H7NO

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：Cc1cc2ncn(-c3nc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1C

HCID11554125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7ac65269ea84ebba90d2319bbfa32b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:51][c:52]1[cH:53][c:54]2[n:55][cH:56][nH:57][c:58]2[cH:59][c:60]1[CH3:61].[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.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[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:55]2[c:54]3[cH:53][c:52]([CH3:51])[c:60]([CH3:61])[cH:59][c:58]3[n:57][cH:56]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