HRID175882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID86621

2H-Pyran, 2-(2-bromoethoxy)tetrahydro-

C7H13BrO2

结构：CN(C(=O)OC(C)(C)C)C1CCC(C=C(Br)Br)CC1

HCID60154276

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)C1CCC(C#CCCOC2CCCCO2)CC1

HCID69198222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc31cca3a51a4d39ab6aa27dcfb4e6d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:34][CH2:35][CH2:36][O:37][CH:38]1[O:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([CH:15]=[C:16]([Br:17])[Br:18])[CH2:13][CH2:14]1)=[O:19].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:20][CH2:21][CH2:22][CH2:23][Li:24].[CH3:25][N:26]1[CH2:27][CH2:28][CH2:29][N:30]([CH3:31])[C:32]1=[O:33].[Cl-:44].[NH4+:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([C:15]#[C:16][CH2:35][CH2:36][O:37][CH:38]2[O:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH2:13][CH2:14]1)=[O:19]