HRID666904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

HCID24386

Thionyl chloride

Cl2OS

HCID69005908

未命名化合物

HCID70700842

3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde

C11H9FN2O

PRODUCTS

生成物

结构：Cc1cn(-c2ccc(C=C3OC(C)CN(Cc4ccc(F)cc4)C3=O)cc2F)cn1

HCID69005508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6263de23dff4df3b9a917c9c3bc4fad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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