HRID1225332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID23925

Iron

结构：COc1cc2c(cc1OC)CN(C(=O)C(Nc1ccccc1[N+](=O)[O-])C(C)(C)C)CC2

HCID178486558

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)CN(C(=O)C(Nc1ccccc1N)C(C)(C)C)CC2

HCID178486557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d3fe6d0f98049ed81a65e2b84bf64ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:11][O:12][c:13]1[cH:14][c:15]2[c:20]([cH:21][c:22]1[O:23][CH3:24])[CH2:19][N:18]([C:25]([CH:26]([C:27]([CH3:28])([CH3:29])[CH3:30])[NH:31][c:32]1[c:33]([N+:38]([O-:39])=[O:40])[cH:34][cH:35][cH:36][cH:37]1)=[O:41])[CH2:17][CH2:16]2.[CH3:1][CH2:2][OH:3].[Cl-:4].[Fe:42].[NH4+:5].[O:6]1[CH2:7][CH2:8][CH2:9][CH2:10]1.[OH2:43]>>[CH3:11][O:12][c:13]1[cH:14][c:15]2[c:20]([cH:21][c:22]1[O:23][CH3:24])[CH2:19][N:18]([C:25]([CH:26]([C:27]([CH3:28])([CH3:29])[CH3:30])[NH:31][c:32]1[c:33]([NH2:38])[cH:34][cH:35][cH:36][cH:37]1)=[O:41])[CH2:17][CH2:16]2