HRID1147900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

HCID13389

Pyridin-4-carboxaldehyde

C6H5NO

结构：CC(c1ccc2c(c1)C(C)(C)CCC2(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID11238303

未命名化合物

PRODUCTS

生成物

结构：CC(=Cc1ccncc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

HCID54397355

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1cbf967140e433fab5a7a04da3d4f32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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