HRID119964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID8857

Ethyl Acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18347050

2,3-Difluoro-α-methylbenzenemethanamine

C8H9F2N

HCID66839644

未命名化合物

PRODUCTS

产物

HCID66960228

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-192df5f68042481ebccd83cf12719a21
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

[CH2:12]([Cl:13])[CH2:14][Cl:15].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cl:33][CH2:34][CH2:35][CH2:36][C:37]([C:38](=[O:39])[OH:40])=[CH:41][c:42]1[cH:43][c:44]([O:54][CH3:55])[c:45](-[n:48]2[cH:49][n:50][c:51]([CH3:53])[cH:52]2)[cH:46][cH:47]1.[F:1][c:2]1[c:3]([CH:9]([CH3:10])[NH2:11])[cH:4][cH:5][cH:6][c:7]1[F:8].[F:26][C:27]([F:28])([F:29])[C:30]([OH:31])=[O:32].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:67].[OH:16][n:17]1[c:18]2[c:19]([cH:20][cH:21][cH:22][cH:23]2)[n:24][n:25]1>>[F:1][c:2]1[c:3]([CH:9]([CH3:10])[NH:11][C:38]([C:37]([CH2:36][CH2:35][CH2:34][Cl:33])=[CH:41][c:42]2[cH:43][c:44]([O:54][CH3:55])[c:45](-[n:48]3[cH:49][n:50][c:51]([CH3:53])[cH:52]3)[cH:46][cH:47]2)=[O:39])[cH:4][cH:5][cH:6][c:7]1[F:8]