HRID149027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6329

Methylamine

CH5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID32051

Zinc (II) cation

Zn+2

HCID498716

未命名化合物

结构：CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3C=O)cc1)C2=O

HCID22318534

Ethyl 6-(2′-formyl[1,1′-biphenyl]-4-yl)-4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

C29H25N3O5

PRODUCTS

生成物

结构：CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3CNC)cc1)C2=O

HCID22318524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94252e1da5a54582beff129af7a72907
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:46](#[N:47])[BH3-:48].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:39][NH2:40].[CH3:50][OH:51].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH:1](=[O:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([N:15]3[C:16](=[O:37])[c:17]4[c:18]([c:21]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[n:22][n:23]4-[c:24]4[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]4)[CH2:19][CH2:20]3)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1.[Cl-:58].[Cl-:60].[ClH:38].[Na+:49].[Zn+2:59]>>[CH2:1]([c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([N:15]3[C:16](=[O:37])[c:17]4[c:18]([c:21]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[n:22][n:23]4-[c:24]4[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]4)[CH2:19][CH2:20]3)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1)[NH:47][CH3:46]