HRID321584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)c1cc(-c2ccc(C)cc2)c(OCc2ccccc2)c(C(C)(C)C)c1

HCID12084817

未命名化合物

HCID178418348

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1cc(-c2ccc(C)cc2)c(OCc2ccccc2)c(C(C)(C)C)c1

HCID12084820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05d8131cc89340f2bd3efe41963e292d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:11][c:12]([C:22]([O:24][CH3:23])=[O:25])[cH:13][c:14]1-[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH2:48]([O:49][CH2:50][CH3:51])[CH3:52].[CH3:36][Si:37]([Cl:38])([CH3:39])[CH3:40].[CH3:54][OH:55].[Cl-:41].[ClH:33].[Li+:32].[Li:34][CH3:35].[NH4+:42].[OH-:31].[OH2:30].[OH2:53]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:11][c:12]([C:22](=[O:24])[CH3:36])[cH:13][c:14]1-[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1