HRID281366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID53488101

2-(Difluoromethyl)-4-methoxy-1H-benzimidazole

C9H8F2N2O

结构：CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)nc(N3CCOCC3)c2[N+](=O)[O-])CC1

HCID86632675

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(NC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c(N2CCOCC2)n1

HCID66698145

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-845e01deb3614ba98cbbb7e2ddbb7e5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Cl:7][c:8]1[n:9][c:10]([N:31]2[CH2:32][CH2:33][O:34][CH2:35][CH2:36]2)[c:11]([N+:28](=[O:29])[O-:30])[c:12]([NH:14][CH:15]2[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:19][CH2:20]2)[n:13]1.[F:37][CH:38]([c:39]1[n:40][c:41]2[c:42]([nH:43]1)[cH:44][cH:45][cH:46][c:47]2[O:48][CH3:49])[F:50].[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:56]>>[c:8]1(-[n:43]2[c:39]([CH:38]([F:37])[F:50])[n:40][c:41]3[c:42]2[cH:44][cH:45][cH:46][c:47]3[O:48][CH3:49])[n:9][c:10]([N:31]2[CH2:32][CH2:33][O:34][CH2:35][CH2:36]2)[c:11]([N+:28](=[O:29])[O-:30])[c:12]([NH:14][CH:15]2[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:19][CH2:20]2)[n:13]1