HRID2322746

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8058

n-Hexane

C6H14

HCID74506

Triphenylmethylphosphonium

C19H18P+

结构：CC(=O)c1cccc(CN(Cc2ccc(C(C)(C)C)cc2)C2CC2)c1

HCID18509530

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：C=C(C)c1cccc(CN(Cc2ccc(C(C)(C)C)cc2)C2CC2)c1

HCID18509396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdd1f6ca490c4aa79fea0cda8f40b59f
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-:37].[C:12]([CH3:13])([CH3:14])([CH3:15])[c:16]1[cH:17][cH:18][c:19]([CH2:20][N:21]([CH:22]2[CH2:23][CH2:24]2)[CH2:25][c:26]2[cH:27][c:28]([C:32]([CH3:33])=[O:34])[cH:29][cH:30][cH:31]2)[cH:35][cH:36]1.[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:38][P+:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11]>>[CH3:1][C:32]([c:28]1[cH:27][c:26]([CH2:25][N:21]([CH2:20][c:19]2[cH:18][cH:17][c:16]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:36][cH:35]2)[CH:22]2[CH2:23][CH2:24]2)[cH:31][cH:30][cH:29]1)=[CH2:33]