HRID2154392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID30165

Iodide ion

I-

结构：CC1(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)OCCO1

HCID4139150

未命名化合物

HCID74027557

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC1(CCC=Cc2ccc3c(c2)C=CC(=CCl)CO3)OCCO1

HCID69666447

3-(Chloromethylene)-7-[4-(2-methyl-1,3-dioxolan-2-yl)-1-butenyl]-2,3-dihydro-1-benzoxepin

C19H21ClO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ebfa52c899a40c59fe83530c1a5577a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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