HRID121727

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

HCID300385

3-phenyl-1H-indazole

C13H10N2

HCID353965

Ethyl 2-bromothiazole-4-carboxylate

C6H6BrNO2S

HCID12447266

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

C8H18N2

PRODUCTS

生成物

结构：CCOC(=O)c1csc(-n2nc(-c3ccccc3)c3ccccc32)n1

HCID67059757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-952c19edd61d4760846dae91beae7c0d
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:34][c:35]1[s:36][cH:37][c:38]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[n:39]1.[CH3:24][N:25]([CH3:26])[CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH:32]1[NH2:33].[Cu:54]([I:55])[I:56].[K+:21].[K+:22].[K+:23].[OH2:57].[P:16]([O-:17])([O-:18])([O-:19])=[O:20].[c:1]1(-[c:7]2[n:8][nH:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:45]1([CH3:46])[cH:47][c:48]([CH3:49])[cH:50][c:51]([CH3:52])[cH:53]1>>[c:1]1(-[c:7]2[n:8][n:9](-[c:35]3[s:36][cH:37][c:38]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[n:39]3)[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1