HRID2162426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID15719

3-Methoxyphenylacetic acid

C9H10O3

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID13061542

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID12972204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e814803bbc1484f9975876eff69e37c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:28]([Li:29])[CH2:30][CH2:31][CH3:32].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:9][C:10](=[O:11])[OH:12])[cH:6][cH:7][cH:8]1.[CH3:33][S:34]([O:35][CH2:38][CH2:39][c:40]1[cH:41][c:42]([O:46][CH3:47])[cH:43][cH:44][cH:45]1)(=[O:36])=[O:37].[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[CH:13]([N-:14][CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[CH:21]([NH:22][CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[Li+:20].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:59]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:9]([C:10](=[O:11])[OH:12])[CH2:38][CH2:39][c:40]2[cH:41][c:42]([O:46][CH3:47])[cH:43][cH:44][cH:45]2)[cH:6][cH:7][cH:8]1