HRID1237467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID139477

2-Propanone, dimethylhydrazone

C5H12N2

HCID5062348

未命名化合物

结构：CC(C=O)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

HCID12856781

未命名化合物

PRODUCTS

生成物

结构：CC(CC(O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)=NN(C)C

HCID54429233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a491c444bda4f3e84d6fee0f8bae229
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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