HRID2317873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

结构：CCCCCC(C=CI)OC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID54449631

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：[Li]C=CC(CCCCC)OC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID178506899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5abef1b4a23418aab470d0c7bd8aebc
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

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