HRID123557

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68147

8-Azabicyclo[3.2.1]octan-3-ol

C7H13NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID86630058

未命名化合物

PRODUCTS

生成物

结构：[N-]=[N+]=NCCn1cnc2cc(C(=O)N3C4CCC3CC(O)C4)ccc21

HCID86630059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e7bb070518e4d4a9e17514ccee81f8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[CH:37]12[CH2:38][CH:39]([OH:45])[CH2:40][CH:41]([CH2:42][CH2:43]1)[NH:44]2.[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][n:6]1[cH:7][n:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([C:15](=[O:16])[OH:17])[cH:14]2.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:51].[OH:18][n:19]1[c:20]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[n:26][n:27]1>>[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][n:6]1[cH:7][n:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([C:15](=[O:17])[N:44]1[CH:37]3[CH2:38][CH:39]([OH:45])[CH2:40][CH:41]1[CH2:42][CH2:43]3)[cH:14]2