HRID1558553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11461

Benzoic acid, 3-methoxy-

C8H8O3

反应SMILES：COc1cc(C(=O)c2nc(N)c3ccccn23)ccc1[N+](=O)[O-]

HCID67215846

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cccc(C(=O)Nc2nc(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)n3ccccc23)c1

HCID67215741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ed5cc54e675349b1af5abf0648400101
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][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:42][C:43]#[N:44].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:8][O:9][c:10]1[cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17][cH:18]1.[NH2:19][c:20]1[n:21][c:22]([C:29](=[O:30])[c:31]2[cH:32][c:33]([O:40][CH3:41])[c:34]([N+:37](=[O:38])[O-:39])[cH:35][cH:36]2)[n:23]2[c:24]1[cH:25][cH:26][cH:27][cH:28]2.[OH2:45]>>[CH3:8][O:9][c:10]1[cH:11][c:12]([C:13](=[O:14])[NH:19][c:20]2[n:21][c:22]([C:29](=[O:30])[c:31]3[cH:32][c:33]([O:40][CH3:41])[c:34]([N+:37](=[O:38])[O-:39])[cH:35][cH:36]3)[n:23]3[c:24]2[cH:25][cH:26][cH:27][cH:28]3)[cH:16][cH:17][cH:18]1