HRID289501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID66808573

未命名化合物

PRODUCTS

生成物

HCID66808443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3dc72e72ff3c405bbec5ddba00ddcd13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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