HRID98686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID2802863

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

C8H9F3N2

HCID57762794

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)CCC1c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1

HCID24825909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a43da0b1a15e4dbf9306eeaea3d32430
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

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