HRID318138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

2 次

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7761

Diethyl propanedioate

C7H12O4

HCID28486

Lithium ion

Li+

HCID119440

1-Hydroxyethyl radical

C2H5O-

结构：Cc1ccc(S(=O)(=O)OCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID21936070

tert-Butyl 4-{2-[(4-methylbenzene-1-sulfonyl)oxy]ethyl}piperidine-1-carboxylate

C19H29NO5S

PRODUCTS

生成物

HCID10334920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-581e2b0b1518472d9ef6e568c445391e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:27]([CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])([O:34][CH2:35][CH3:36])=[O:37].[CH3:39][CH2:40][O-:41].[CH3:47][CH2:48][OH:49].[Cl-:42].[Cl-:45].[Li+:44].[NH4+:43].[Na+:38].[OH2:46].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O:7][CH2:11][CH2:12][CH:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]2)(=[O:8])=[O:9])[cH:10][cH:26]1>>[CH2:11]([CH2:12][CH:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1)[CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33]