HRID86512

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID141917

2-(Bromomethyl)tetrahydro-2H-pyran

C6H11BrO

结构：COC(=O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1Cl

HCID11749905

Methyl 6-((4-bromo-2-chlorophenyl)amino)-7-fluoro-1H-benzo[d]imidazole-5-carboxylate

C15H10BrClFN3O2

PRODUCTS

生成物

结构：COC(=O)c1cc2c(ncn2CC2CCCCO2)c(F)c1Nc1ccc(Br)cc1Cl

HCID68819077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce3aeb2fe83b4d7785162f4093b66d76
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

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