HRID94575

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8082

Piperidine

C5H11N

HCID197824

未命名化合物

HCID178418339

Butyllithium

C4H9Li

结构：CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C=O)C(OC(C)=O)CCC32)C1

HCID178475328

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C=CCl)C(OC(C)=O)CCC32)C1

HCID178475319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24f283a1e03942c3988e1a7da7f3b752
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([O:25][C:26]([CH3:27])=[O:28])[C:15]4([CH:16]=[O:17])[CH2:18][CH2:19][CH:20]3[C:21]2([CH3:24])[CH2:22][CH2:23]1.[CH2:51]1[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]1.[CH2:57]([Li:58])[CH2:59][CH2:60][CH3:61].[CH3:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72].[Cl-:29].[Cl:30][CH2:31][P+:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([O:25][C:26]([CH3:27])=[O:28])[C:15]4([CH:16]=[CH:31][Cl:30])[CH2:18][CH2:19][CH:20]3[C:21]2([CH3:24])[CH2:22][CH2:23]1