HRID1207248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID787

Hydroxylamine

H3NO

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：Cc1ccc(-c2noc(C3CN(C#N)C3)n2)cc1NC(=O)c1cnc2ccccn12

HCID86677454

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(-c2noc(C3CN(C(N)=NO)C3)n2)cc1NC(=O)c1cnc2ccccn12

HCID86677455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cb93ef061ef944f79ddc05fb4b1a0955
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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