HRID89683

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID10701

1H-Imidazole, 2-nitro-

C3H3N3O2

结构：O=C(OCC1OC(O)(Br)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1

HCID178525274

未命名化合物

PRODUCTS

生成物

结构：O=C(OCC1OC(n2ccnc2[N+](=O)[O-])C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1

HCID335828

[3,4-dibenzoyloxy-5-(2-nitroimidazol-1-yl)oxolan-2-yl]methyl benzoate

C29H23N3O9

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-470ed6a07e7a475cb06bde49ea288f21
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

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