HRID2132589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：CC(C)(COCc1ccccc1)C(=O)N1CCN(c2ccccc2OCC(F)(F)F)CC1

HCID70202763

未命名化合物

PRODUCTS

生成物

结构：CC(C)(COCc1ccccc1)CN1CCN(c2ccccc2OCC(F)(F)F)CC1

HCID70202011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba335c3327b84be3bb6bb79f5fc406d0
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

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