HRID124576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID943

Nitrate

NO3-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6342

Acetonitrile

C2H3N

HCID23974

Cerium

结构：COc1ccc(OCC(=O)C2CCCN2C(=O)C2CCCN2C(=O)NCc2ccccc2)cc1

HCID19437081

未命名化合物

PRODUCTS

生成物

结构：O=C(CO)C1CCCN1C(=O)C1CCCN1C(=O)NCc1ccccc1

HCID23296668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71bfa25e0e4a49f29bf95775fe8199be
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

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][C:9](=[O:10])[CH:11]2[N:12]([C:16](=[O:17])[CH:18]3[N:19]([C:23](=[O:24])[NH:25][CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH2:20][CH2:21][CH2:22]3)[CH2:13][CH2:14][CH2:15]2)[cH:33][cH:34]1.[CH3:47][C:48]#[N:49].[Ce:45].[N+:41]([O-:42])([O-:43])=[O:44].[NH4+:46].[OH2:50].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[OH:7][CH2:8][C:9](=[O:10])[CH:11]1[N:12]([C:16](=[O:17])[CH:18]2[N:19]([C:23](=[O:24])[NH:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:20][CH2:21][CH2:22]2)[CH2:13][CH2:14][CH2:15]1