HRID1149595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8471

Triethylamine

C6H15N

HCID28486

Lithium ion

Li+

HCID78607

1,4′-Bipiperidine

C10H20N2

结构：COC(=O)C(CN1CCC(O)CC1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

HCID58864518

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(CN1CCC(O)CC1)C(=O)N1CCC(N2CCCCC2)CC1

HCID21102051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-497c1ed388ac464499ca89d9c1a6f10a
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

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