HRID173597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID4113

Methoxyamine

CH5NO

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID8857

Ethyl Acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID58110014

未命名化合物

PRODUCTS

产物

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID87181658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9e53244fa3014c68ba41ff7bdc776782
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[CH3:54][CH2:55][OH:56].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:8][c:9]1[n:10][cH:11][n:12](-[c:14]2[c:15]([O:39][CH3:40])[cH:16][c:17]([NH:20][c:21]3[n:22][n:23]4[c:24]([n:38]3)[CH:25]([c:31]3[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]3)[CH2:26][C:27](=[O:30])[CH2:28][CH2:29]4)[cH:18][cH:19]2)[cH:13]1.[ClH:41].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[O:42]([CH3:43])[NH2:44]>>[Cl:8][c:9]1[n:10][cH:11][n:12](-[c:14]2[c:15]([O:39][CH3:40])[cH:16][c:17]([NH:20][c:21]3[n:22][n:23]4[c:24]([n:38]3)[CH:25]([c:31]3[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]3)[CH2:26][C:27](=[N:44][O:42][CH3:43])[CH2:28][CH2:29]4)[cH:18][cH:19]2)[cH:13]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]