HRID1551219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID83717

Copper iodide (CuI2)

CuI2

HCID551074

N,N'-Dimethyl-1,2-cyclohexanediamine

C8H18N2

2 次

结构：O=c1[nH]c(=O)n(CCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)cc1I

HCID71018565

未命名化合物

HCID178428694

未命名化合物

PRODUCTS

生成物

结构：Cc1ccn(-c2cn(CCCN3CC4CC4(c4ccc(C(F)(F)F)cc4)C3)c(=O)[nH]c2=O)n1

HCID178428273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91f13554aa4d44abb70e3daa1d02ea40
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

[CH3:11][NH:12][CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH:18]1[NH:19][CH3:20].[CH3:1][NH:2][CH:3]1[CH2:4][CH2:5][CH2:6][CH2:7][CH:8]1[NH:9][CH3:10].[CH3:55][c:56]1[n:57][nH:58][cH:59][cH:60]1.[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cu:68]([I:69])[I:70].[I:21][c:22]1[c:23](=[O:48])[nH:24][c:25](=[O:47])[n:26]([CH2:28][CH2:29][CH2:30][N:31]2[CH2:32][C:33]3([c:37]4[cH:38][cH:39][c:40]([C:43]([F:44])([F:45])[F:46])[cH:41][cH:42]4)[CH2:34][CH:35]3[CH2:36]2)[cH:27]1.[K+:49].[K+:50].[O-:51][C:52]([O-:53])=[O:54]>>[c:22]1(-[n:58]2[n:57][c:56]([CH3:55])[cH:60][cH:59]2)[c:23](=[O:48])[nH:24][c:25](=[O:47])[n:26]([CH2:28][CH2:29][CH2:30][N:31]2[CH2:32][C:33]3([c:37]4[cH:38][cH:39][c:40]([C:43]([F:44])([F:45])[F:46])[cH:41][cH:42]4)[CH2:34][CH:35]3[CH2:36]2)[cH:27]1