HRID112407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID11984

1H-Benzimidazole, 2-methyl-

C8H8N2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)CBr)cc1C

HCID58007602

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)Cn2c(C)nc3ccccc32)cc1C

HCID58007562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cfc7f70e4e0442aaf6bbfe469c9b390
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:1][CH2:2][C:3](=[O:4])[N:5]([CH2:6][CH2:7][c:8]1[cH:9][n:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]1)[c:18]1[cH:19][c:20]([CH3:25])[c:21]([CH3:24])[cH:22][cH:23]1.[C:36](=[O:37])([O-:38])[O-:39].[C:45]([O:46][CH3:47])([CH3:48])([CH3:49])[CH3:50].[CH3:26][c:27]1[nH:28][c:29]2[c:30]([n:31]1)[cH:32][cH:33][cH:34][cH:35]2.[CH3:42][C:43]#[N:44].[K+:40].[K+:41]>>[CH2:2]([C:3](=[O:4])[N:5]([CH2:6][CH2:7][c:8]1[cH:9][n:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]1)[c:18]1[cH:19][c:20]([CH3:25])[c:21]([CH3:24])[cH:22][cH:23]1)[n:28]1[c:27]([CH3:26])[n:31][c:30]2[c:29]1[cH:35][cH:34][cH:33][cH:32]2