HRID136128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID8471

Triethylamine

C6H15N

HCID32262

5-Chloro-3-phenyl-1,2,4-thiadiazole

C8H5ClN2S

HCID68724237

Piperazine-1-carboxylic acid benzo[d]isoxazol-3-ylamide

C12H14N4O2

PRODUCTS

产物

HCID11640074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7413ec8d61ec42f89c5c846d29775eef
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

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