HRID1547601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID772634

未命名化合物

HCID2802863

3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

C8H9F3N2

PRODUCTS

生成物

结构：O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCOCC1

HCID1316629

4-Morpholinyl{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methanone

C19H20F3N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5456104775ec4265bb4c9329e9a1c10a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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