HRID1137997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID11647

N-Methylhydroxylamine

CH5NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：Cn1nc(C(=O)[O-])c2c1-c1nc(NC3CCCC3)ncc1CC2

HCID57531735

未命名化合物

PRODUCTS

生成物

结构：CN(O)C(=O)c1nn(C)c2c1CCc1cnc(NC3CCCC3)nc1-2

HCID45139427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d7262cde12249509c7d3886960e70dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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