HRID1571843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID962

Water

H2O

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

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

HCID2724568

未命名化合物

结构：CC(C)(C)c1c(OCc2ccccc2)ccc2oc(C=O)cc12

HCID23442879

5-Benzyloxy-4-t-butyl-2-formylbenzofuran

C20H20O3

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCCCCCC=Cc1cc2c(C(C)(C)C)c(OCc3ccccc3)ccc2o1

HCID54308722

5-Benzyloxy-4-t-butyl-2-(1-octenyl)benzofuran

C27H34O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8773501fa9684fc2811f8c4c4636a4c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br-:11].[CH2:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[P+:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH2:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[O:45][c:46]1[cH:47][cH:48][c:49]2[c:50]([cH:51][c:52]([CH:54]=[O:55])[o:53]2)[c:56]1[C:57]([CH3:58])([CH3:59])[CH3:60].[CH2:6]([Li:7])[CH2:8][CH2:9][CH3:10].[CH3:1][CH2:2][CH2:3][CH2:4][CH3:5].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[OH2:66]>>[CH:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])=[CH:54][c:52]1[cH:51][c:50]2[c:49]([cH:48][cH:47][c:46]([O:45][CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:56]2[C:57]([CH3:58])([CH3:59])[CH3:60])[o:53]1