HRID2154593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID67879

Benzoyl chloride, 4-fluoro-

C7H4ClFO

HCID69001759

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccccc1C=Cc1n[nH]c2ccccc12)c1ccc(F)cc1

HCID69002868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cc0b06d061e4fa0ab50f9eae8f0f182
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:36](=[O:37])([O-:38])[O-:39].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[F:26][c:27]1[cH:28][cH:29][c:30]([C:31](=[O:32])[Cl:33])[cH:34][cH:35]1.[K+:40].[K+:41].[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[c:13]([NH2:18])[cH:14][cH:15][cH:16][cH:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[c:13]([NH:18][C:31]([c:30]3[cH:29][cH:28][c:27]([F:26])[cH:35][cH:34]3)=[O:32])[cH:14][cH:15][cH:16][cH:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12