HRID683897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID7912

Diisopropylamine

C6H15N

HCID89683

2,3,4-Trimethoxy-6-methylbenzaldehyde

C11H14O4

HCID2760690

2,3,6-Trichloro-5-(trifluoromethyl)pyridine

C6HCl3F3N

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID12151537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-df04918ed9db4ede8b321179cfafb77f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:26][O:27][c:28]1[c:29]([CH:30]=[O:31])[c:32]([CH3:40])[cH:33][c:34]([O:38][CH3:39])[c:35]1[O:36][CH3:37].[CH3:41][CH2:42][O:43][CH2:44][CH3:45].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[Cl:13][c:14]1[n:15][c:16]([Cl:25])[c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][c:19]1[Cl:20].[OH2:53]>>[Cl:13][c:14]1[n:15][c:16]([Cl:25])[c:17]([C:21]([F:22])([F:23])[F:24])[c:18]([CH:30]([c:29]2[c:28]([O:27][CH3:26])[c:35]([O:36][CH3:37])[c:34]([O:38][CH3:39])[cH:33][c:32]2[CH3:40])[OH:31])[c:19]1[Cl:20]