HRID86259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID7834

1,2-Epoxybutane

C4H8O

HCID68023

4-Fluorobenzaldehyde

C7H5FO

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(=Cc1ccc(F)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

HCID70124593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be93be71b85e4e028e30e1ec47cb2362
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:1].[CH2:49]1[O:50][CH:51]1[CH2:52][CH3:53].[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.[CH3:47][OH:48].[F:37][c:38]1[cH:39][cH:40][c:41]([CH:42]=[O:43])[cH:44][cH:45]1.[OH2:46]>>[CH3:2][C:3]1([CH3:36])[c:4]2[cH:5][cH:6][c:7]([C:15]([CH3:16])=[CH:42][c:41]3[cH:40][cH:39][c:38]([F:37])[cH:45][cH:44]3)[cH:8][c:9]2[C:10]([CH3:13])([CH3:14])[CH2:11][CH2:12]1