HRID115838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID1318

1,10-Phenanthroline

C12H8N2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

结构：CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCNC2=O

HCID22240468

Ethyl 1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

C16H17N3O4

HCID59019959

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(C3(NC(=O)OC(C)(C)C)CC3)cc1)C2=O

HCID69516007

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-679a9479d819458d9c9337913043e5b2
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:11]2[cH:12][cH:13][c:14]([I:17])[cH:15][cH:16]2)[CH2:9][CH2:10]1)=[O:18].[CH2:19]([CH3:20])[O:21][C:22](=[O:23])[c:24]1[n:25][n:26](-[c:34]2[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]2)[c:27]2[c:32]1[CH2:31][CH2:30][NH:29][C:28]2=[O:33].[CH3:62][S:63]([CH3:64])=[O:65].[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[Cu:66][I:67].[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[cH:48]1[cH:49][c:50]2[cH:51][cH:52][c:53]3[c:54]([c:55]2[n:56][cH:57]1)[n:58][cH:59][cH:60][cH:61]3>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:11]2[cH:12][cH:13][c:14]([N:29]3[C:28](=[O:33])[c:27]4[n:26](-[c:34]5[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]5)[n:25][c:24]([C:22]([O:21][CH2:19][CH3:20])=[O:23])[c:32]4[CH2:31][CH2:30]3)[cH:15][cH:16]2)[CH2:9][CH2:10]1)=[O:18]