HRID89621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

Hexane

C6H14

HCID76114

Benzene, 4-bromo-1,2-dimethoxy-

C8H9BrO2

HCID14823232

5-(4-Chlorophenoxy)picolinonitrile

C12H7ClN2O

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID14823233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e58d463916da4a8e956c7fa03dfa9ced
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[Br:1][c:2]1[cH:3][c:4]([O:10][CH3:11])[c:5]([O:8][CH3:9])[cH:6][cH:7]1.[CH2:18]([Li:19])[CH2:20][CH2:21][CH3:22].[CH3:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17].[CH3:45][OH:46].[Cl:23][c:24]1[cH:25][cH:26][c:27]([O:28][c:29]2[cH:30][cH:31][c:32]([C:35]#[N:36])[n:33][cH:34]2)[cH:37][cH:38]1.[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:44]>>[c:2]1([C:35]([c:32]2[cH:31][cH:30][c:29]([O:28][c:27]3[cH:26][cH:25][c:24]([Cl:23])[cH:38][cH:37]3)[cH:34][n:33]2)=[O:39])[cH:3][c:4]([O:10][CH3:11])[c:5]([O:8][CH3:9])[cH:6][cH:7]1