HRID1204313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23978

Copper

HCID141645

Benzene, 1-iodo-2,3-dimethyl-

C8H9I

HCID551074

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

C8H18N2

结构：O=c1[nH]nc2c3ccccc3n(Cc3ccc(-c4cscn4)nc3)nc1-2

HCID86660007

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(-n2nc3c4ccccc4n(Cc4ccc(-c5cscn5)nc4)nc-3c2=O)c1C

HCID46897014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-365547a68c804535919502b06a3e7561
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:36][NH:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]1[NH:44][CH3:45].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[Cu:60].[I:27][c:28]1[c:29]([CH3:35])[c:30]([CH3:34])[cH:31][cH:32][cH:33]1.[K+:51].[K+:52].[K+:53].[OH2:59].[P:46]([O-:47])([O-:48])([O-:49])=[O:50].[s:1]1[cH:2][n:3][c:4](-[c:6]2[cH:7][cH:8][c:9]([CH2:12][n:13]3[n:14][c:15]4[c:25](=[O:26])[nH:24][n:23][c:16]-4[c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]34)[cH:10][n:11]2)[cH:5]1>>[s:1]1[cH:2][n:3][c:4](-[c:6]2[cH:7][cH:8][c:9]([CH2:12][n:13]3[n:14][c:15]4[c:25](=[O:26])[n:24](-[c:28]5[c:29]([CH3:35])[c:30]([CH3:34])[cH:31][cH:32][cH:33]5)[n:23][c:16]-4[c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]34)[cH:10][n:11]2)[cH:5]1