HRID92319

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID197824

未命名化合物

HCID11138567

methyl 3-oxo-2,3-dihydro-1-benzoxepin-7-carboxylate

C12H10O4

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

HCID69667024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-684f4f79b36646e88e6488923099cc91
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

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