HRID2344478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID15413

Methyl tert-butyl ether

C5H12O

HCID15789913

4-(4-Oxocyclohexyl)benzonitrile

C13H13NO

结构：CCCCCC1CCC(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1

HCID20223917

未命名化合物

PRODUCTS

生成物

结构：CCCCCC1CCC(CC=C2CCC(c3ccc(C#N)cc3)CC2)CC1

HCID20223926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6ca596a851647079660b01cb075fcb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br-:1].[C:34](#[N:35])[c:36]1[cH:37][cH:38][c:39]([CH:42]2[CH2:43][CH2:44][C:45](=[O:48])[CH2:46][CH2:47]2)[cH:40][cH:41]1.[CH2:2]([CH2:3][CH2:4][CH2:5][CH3:6])[CH:7]1[CH2:8][CH2:9][CH:10]([CH2:13][CH2:14][P+:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:11][CH2:12]1.[CH3:50][O:51][C:52]([CH3:53])([CH3:54])[CH3:55].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:49]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH3:6])[CH:7]1[CH2:8][CH2:9][CH:10]([CH2:13][CH:14]=[C:45]2[CH2:44][CH2:43][CH:42]([c:39]3[cH:38][cH:37][c:36]([C:34]#[N:35])[cH:41][cH:40]3)[CH2:47][CH2:46]2)[CH2:11][CH2:12]1