HRID1571519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

3 次

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID28123

Tetrahydroborate

H4B-

HCID498716

未命名化合物

HCID2776500

6-Phenoxynicotinaldehyde

C12H9NO2

HCID178418703

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1[nH]cnc1NCc1ccc(Oc2ccccc2)nc1

HCID67414931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca1ad14fb6d84230b9e4daa1dd2a361e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[BH4-:41].[C:37]([BH3-:38])#[N:39].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:33][C:34](=[O:35])[OH:36].[CH3:48][OH:49].[CH3:50][N:51]1[CH2:52][CH2:53][CH2:54][C:55]1=[O:56].[ClH:8].[NH2:9][c:10]1[c:11]([C:15](=[O:16])[NH2:17])[n:12][cH:13][nH:14]1.[Na+:40].[Na+:42].[Na+:47].[O-:43][C:44]([OH:45])=[O:46].[O:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[c:25]1[n:26][cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32]1>>[NH:9]([c:10]1[c:11]([C:15](=[O:16])[NH2:17])[nH:12][cH:13][n:14]1)[CH2:29][c:28]1[cH:27][n:26][c:25]([O:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:32][cH:31]1