HRID200634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID7834

1,2-Epoxybutane

C4H8O

HCID15294

Methyl 4-formylbenzoate

C9H8O3

结构：CC(c1ccc2c(c1)C(C)(C)CCO2)[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID4464239

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C=C(C)c2ccc3c(c2)C(C)(C)CCO3)cc1

HCID54498838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-922feb3010154d79b2a577ded5a1e5e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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