HRID1560544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID223

Ammonia ion (NH4+)

H4N+

HCID240

Benzaldehyde

C7H6O

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID77274851

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCC(c2cc(F)c(F)c(F)c2)N1Cc1ccccc1

HCID69048586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ccde5cfd85f4890a13dc582825414b6
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

[CH2:13]([CH3:14])[O:15][C:16](=[O:17])[CH:18]1[NH:19][CH:20]([c:23]2[cH:24][c:25]([F:31])[c:26]([F:30])[c:27]([F:29])[cH:28]2)[CH2:21][CH2:22]1.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:40][OH:41].[CH3:9][C:10](=[O:11])[OH:12].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[Cl-:32].[NH4+:33].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[CH2:1]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N:19]1[CH:18]([C:16]([O:15][CH2:13][CH3:14])=[O:17])[CH2:22][CH2:21][CH:20]1[c:23]1[cH:24][c:25]([F:31])[c:26]([F:30])[c:27]([F:29])[cH:28]1