HRID112766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID9709

2,4-Difluoroaniline

C6H5F2N

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID521170

2,4,5-Trifluorobenzoic acid

C7H3F3O2

HCID5062348

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID14997475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-339f2d7575714479b944e6313b6a34b9
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

[CH2:16]([Li:17])[CH2:18][CH2:19][CH3:20].[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[CH:9]([NH:10][CH:11]([CH3:12])[CH3:13])([CH3:14])[CH3:15].[ClH:48].[F:21][c:22]1[c:23]([NH2:24])[cH:25][cH:26][c:27]([F:29])[cH:28]1.[F:30][c:31]1[c:32]([C:33](=[O:34])[OH:35])[cH:36][c:37]([F:41])[c:38]([F:40])[cH:39]1.[Li+:8].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[F:21][c:22]1[c:23]([NH:24][c:31]2[c:32]([C:33](=[O:34])[OH:35])[cH:36][c:37]([F:41])[c:38]([F:40])[cH:39]2)[cH:25][cH:26][c:27]([F:29])[cH:28]1