HRID194402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID33558

Azide

N3-

结构：COc1ccccc1CC(=O)N1CC2CC(CS(=O)(=O)c3ccc(C)cc3)CC(O)(c3ccccc3OC)C2C1

HCID86752423

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CC(=O)N1CC2CC(CN=[N+]=[N-])CC(O)(c3ccccc3OC)C2C1

HCID86752422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd3428292679499e8484eea3749a2378
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH3:5][O:6][c:7]1[c:8]([C:13]2([OH:44])[CH:14]3[CH2:15][N:16]([C:33]([CH2:34][c:35]4[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]4)=[O:43])[CH2:17][CH:18]3[CH2:19][CH:20]([CH2:22][S:23]([c:24]3[cH:25][cH:26][c:27]([CH3:28])[cH:29][cH:30]3)(=[O:31])=[O:32])[CH2:21]2)[cH:9][cH:10][cH:11][cH:12]1.[N-:2]=[N+:3]=[N-:4].[Na+:1].[OH2:50]>>[N:2](=[N+:3]=[N-:4])[CH2:22][CH:20]1[CH2:19][CH:18]2[CH:14]([C:13]([c:8]3[c:7]([O:6][CH3:5])[cH:12][cH:11][cH:10][cH:9]3)([OH:44])[CH2:21]1)[CH2:15][N:16]([C:33]([CH2:34][c:35]1[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]1)=[O:43])[CH2:17]2