HRID949390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID2724568

未命名化合物

结构：CC(=O)Oc1c(C(C)(C)C)cc2oc(C=O)cc2c1C(C)(C)C

HCID22918669

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCCCCCC=Cc1cc2c(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)cc2o1

HCID53768721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77c7cefd832c4748b208a779c1376ff1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br-:6].[C:33]([CH3:34])(=[O:35])[O:36][c:37]1[c:38]([C:52]([CH3:53])([CH3:54])[CH3:55])[cH:39][c:40]2[c:41]([cH:42][c:43]([CH:45]=[O:46])[o:44]2)[c:47]1[C:48]([CH3:49])([CH3:50])[CH3:51].[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:7]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])[P+:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:63][CH2:64][CH2:65][CH2:66][CH3:67].[Cl-:56].[NH4+:57].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1>>[CH:7]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])=[CH:45][c:43]1[cH:42][c:41]2[c:40]([cH:39][c:38]([C:52]([CH3:53])([CH3:54])[CH3:55])[c:37]([O:36][C:33]([CH3:34])=[O:35])[c:47]2[C:48]([CH3:49])([CH3:50])[CH3:51])[o:44]1