HRID138917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6228

Dimethylformamide

C3H7NO

HCID84853

1-(4-Fluorobenzoyl)aziridine

C9H8FNO

HCID123618

Tecastemizole

C19H21FN4

PRODUCTS

产物

HCID12891684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ab5c918208dd4e3c826214aa80b120f3
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

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