HRID101628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID5359268

Aluminum

结构：CCOC(=O)C1=Cc2cc(Cl)c(Oc3cc(C)c(C)cc3Cl)cc2OC1C(F)(F)F

HCID69518202

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)c(Oc2cc3c(cc2Cl)C=C(C(=O)O)C(C(F)(F)F)O3)cc1C

HCID11487309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b87ed72d5f8344589008b78d1a479f75
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

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