HRID1126334

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

HCID23925

Iron

结构：COC(=O)C=Cc1ccc(C2CCCN2CCc2c(C(C)(C)C)[nH]c3cc([N+](=O)[O-])ccc23)cc1

HCID67158330

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc(C2CCCN2CCc2c(C(C)(C)C)[nH]c3cc(N)ccc23)cc1

HCID67158974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c3fdf775db4439e840f037077bd21ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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