HRID1123647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：CC(C)(C)OC(=O)N1CCC(C[N+](=O)[O-])(SCc2ccccc2)CC1

HCID57475998

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CN)(SCc2ccccc2)CC1

HCID57475999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-769d5d88313d431293ba2b98a2607f36
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Al+3:2].[CH2:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[S:14][C:15]1([CH2:28][N+:29]([O-:30])=[O:31])[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:19][CH2:20]1.[CH3:33][CH2:34][O:35][CH2:36][CH3:37].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH2:32]>>[CH2:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[S:14][C:15]1([CH2:28][NH2:29])[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:19][CH2:20]1