HRID1237488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID6342

Acetonitrile

C2H3N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID13162663

3-Methoxy-2-methylbenzaldehyde

C9H10O2

结构：COC(=O)c1cc(Br)ccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID57834489

未命名化合物

PRODUCTS

生成物

HCID69073571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cda0674c22234beea03a812abaf59004
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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