HRID201880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID1140

Toluene

C7H8

HCID7421

3-Dimethylaminophenol

C8H11NO

HCID8058

Hexane

C6H14

HCID8071

未命名化合物

HCID20548151

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID20548150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-34821442885543d0a32ae6a2a21fbd2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:46]([CH2:47][O:48][CH3:49])[O:50][CH3:51].[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:6][N:7]([c:8]1[cH:9][c:10]([OH:14])[cH:11][cH:12][cH:13]1)[CH3:15].[I:16][CH2:17][C:18]([CH:19]=[P:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:39].[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH3:6][N:7]([c:8]1[cH:9][c:10]([O:14][CH2:17][C:18]([CH:19]=[P:20]([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)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)=[O:39])[cH:11][cH:12][cH:13]1)[CH3:15]