HRID690386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7504

Benzylamine

C7H9N

HCID8361

Phenyl salicylate

C13H10O3

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID83717

Copper iodide (CuI2)

CuI2

HCID16099851

未命名化合物

PRODUCTS

生成物

结构：CCn1c(-c2nonc2N)nc2cnc(NCc3ccccc3)cc21

HCID57721192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0377870143ff4fe0aac5334189c5b6d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][n:7]1)[n:8][c:9](-[c:13]1[c:14]([NH2:18])[n:15][o:16][n:17]1)[n:10]2[CH2:11][CH3:12].[C:43](=[O:44])([O-:45])[O-:46].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cu:60]([I:61])[I:62].[K+:47].[K+:48].[NH2:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH:27][c:28]1[c:29]([C:30]([O:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)=[O:38])[cH:39][cH:40][cH:41][cH:42]1>>[c:2]1([NH:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:3][c:4]2[c:5]([cH:6][n:7]1)[n:8][c:9](-[c:13]1[c:14]([NH2:18])[n:15][o:16][n:17]1)[n:10]2[CH2:11][CH3:12]