HRID174641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID642799

4-(bromomethyl)pyridine

C6H6BrN

结构：CC(C)(C)CN1C(=O)C(CC(=O)NCc2ccccc2F)N(C(=O)c2ccncc2)Cc2ccccc21

HCID23089896

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CN1C(=O)C(CC(=O)NCc2ccccc2F)N(Cc2ccncc2)Cc2ccccc21

HCID67178144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f6021e8de0b462c8da1372a873b85cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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