HRID1144835

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

HCID46318477

未命名化合物

HCID68724237

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

C12H14N4O2

PRODUCTS

产物

HCID68776400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0ee8d2e6fc484aec986437f48fa0224d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl:1][c:2]1[n:3][c:4](-[c:7]2[c:8]([F:13])[cH:9][cH:10][cH:11][cH:12]2)[n:5][s:6]1.[F:14][C:15]([F:16])([F:17])[C:18]([OH:19])=[O:20].[OH2:46].[o:21]1[n:22][c:23]([NH:30][C:31](=[O:32])[N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[c:24]2[c:25]1[cH:26][cH:27][cH:28][cH:29]2>>[c:2]1([N:36]2[CH2:35][CH2:34][N:33]([C:31]([NH:30][c:23]3[n:22][o:21][c:25]4[c:24]3[cH:29][cH:28][cH:27][cH:26]4)=[O:32])[CH2:38][CH2:37]2)[n:3][c:4](-[c:7]2[c:8]([F:13])[cH:9][cH:10][cH:11][cH:12]2)[n:5][s:6]1