HRID1562119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID33558

Azide

N3-

结构：COCCCOc1ccccc1C(=O)NCC(CC(NC(=O)OC(C)(C)C)C1CO1)C(C)C

HCID178495325

未命名化合物

PRODUCTS

生成物

结构：COCCCOc1ccccc1C(=O)NCC(CC(NC(=O)OC(C)(C)C)C(O)CN=[N+]=[N-])C(C)C

HCID178495330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-915c80cf2dbb478b945d0506a51031ce
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

[CH3:1][O:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[c:8]([C:9](=[O:10])[NH:11][CH2:12][CH:13]([CH2:14][CH:15]([CH:16]2[O:17][CH2:18]2)[NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH:27]([CH3:28])[CH3:29])[cH:30][cH:31][cH:32][cH:33]1.[CH3:40][OH:41].[Cl-:38].[N-:35]=[N+:36]=[N-:37].[NH4+:39].[Na+:34]>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[c:8]([C:9](=[O:10])[NH:11][CH2:12][CH:13]([CH2:14][CH:15]([CH:16]([OH:17])[CH2:18][N:35]=[N+:36]=[N-:37])[NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH:27]([CH3:28])[CH3:29])[cH:30][cH:31][cH:32][cH:33]1