HRID2349817

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

HCID7947

1,3,5-Trimethylbenzene

C9H12

HCID83717

Copper iodide (CuI2)

CuI2

HCID5122258

未命名化合物

HCID12447266

N~1~,N~1~-Dimethylcyclohexane-1,2-diamine

C8H18N2

HCID53446139

未命名化合物

PRODUCTS

生成物

结构：CCc1sc(-n2nc(-c3ccccc3)c(C)c2-c2ccccc2)nc1C(=O)O

HCID59179233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-293560d072a64252803fd65ac3268b91
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:46]([CH3:47])[c:48]1[c:49]([C:54](=[O:55])[OH:56])[n:50][c:51]([Br:53])[s:52]1.[CH3:10][c:11]1[c:12](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[n:13][nH:14][c:15]1-[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[CH3:36][N:37]([CH3:38])[CH:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH:44]1[NH2:45].[Cu:57]([I:58])[I:59].[K+:33].[K+:34].[K+:35].[OH2:60].[P:28]([O-:29])([O-:30])([O-:31])=[O:32].[c:1]1([CH3:2])[cH:3][c:4]([CH3:5])[cH:6][c:7]([CH3:8])[cH:9]1>>[CH3:10][c:11]1[c:12](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[n:13](-[c:51]2[n:50][c:49]([C:54](=[O:55])[OH:56])[c:48]([CH2:46][CH3:47])[s:52]2)[n:14][c:15]1-[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1