HRID143658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID962

Water

H2O

HCID15413

Methyl tert-butyl ether

C5H12O

结构：CCCCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID5052545

未命名化合物

HCID18605855

3-(4-Pentylcyclohexyl)propanal

C14H26O

PRODUCTS

生成物

HCID54515500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c9fcfc65f49448c8e8d02e8da99b7ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br-:1].[CH2:2]([CH2:3][CH2:4][CH3:5])[O:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][P+:14]([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)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:11][cH:12]1.[CH2:33]([CH2:34][CH2:35][CH2:36][CH3:37])[CH:38]1[CH2:39][CH2:40][CH:41]([CH2:44][CH2:45][CH:46]=[O:47])[CH2:42][CH2:43]1.[CH3:49][O:50][C:51]([CH3:52])([CH3:53])[CH3:54].[OH2:48]>>[CH2:2]([CH2:3][CH2:4][CH3:5])[O:6][c:7]1[cH:8][cH:9][c:10]([CH:13]=[CH:46][CH2:45][CH2:44][CH:41]2[CH2:40][CH2:39][CH:38]([CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[CH2:43][CH2:42]2)[cH:11][cH:12]1