HRID92429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID11253185

未命名化合物

HCID58169994

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID57911758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-32132dbd06664cacb40fc0000d5e0fcd
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

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cl-:53].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[n:7]1.[Cl:28][c:29]1[cH:30][c:31]([Cl:32])[cH:33][cH:34][c:35]1-[c:36]1[nH:37][c:38](=[O:39])[c:40]2[n:41]([n:42][c:43]([CH2:44][N:45]3[CH2:46][CH2:47][O:48][CH2:49][CH2:50]3)[cH:51]2)[cH:52]1.[F:21][C:22]([C:23](=[O:24])[OH:25])([F:26])[F:27].[Li:16][CH2:17][CH2:18][CH2:19][CH3:20].[NH4+:54]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:23]([C:22]([F:21])([F:26])[F:27])=[O:24])[c:6]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[n:7]1