HRID2346543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID10701

1H-Imidazole, 2-nitro-

C3H3N3O2

HCID11776

Triphenylphosphine

C18H15P

反应SMILES：COC(=O)C(CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID279018

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)C(Cn1ccnc1[N+](=O)[O-])NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21906829

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ca46a7c437824f6cba02ee7a99ee06a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:9][O:10][C:11]([CH:12]([NH:13][C:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH2:33][OH:34])=[O:35].[N+:1](=[O:2])([O-:3])[c:4]1[nH:5][cH:6][cH:7][n:8]1.[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[N+:1](=[O:2])([O-:3])[c:4]1[n:5]([CH2:33][CH:12]([C:11]([O:10][CH3:9])=[O:35])[NH:13][C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:6][cH:7][n:8]1