HRID943192

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：COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)nc1)C(=O)OC(C)(C)C

HCID57919594

未命名化合物

PRODUCTS

生成物

结构：COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)nc1)C(=O)OC(C)(C)C

HCID57919472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d33bbd0fe434d1d8b51ca5ba1cec50f
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:43][CH2:44][OH:45].[Cl-:40].[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][N:21]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:29][CH2:30][O:31][CH3:32])[cH:18][n:19]2)[s:13]3)[cH:33][cH:34][c:35]([N+:37]([O-:38])=[O:39])[cH:36]1.[Fe:42].[NH4+:41].[OH2:46]>>[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][N:21]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:29][CH2:30][O:31][CH3:32])[cH:18][n:19]2)[s:13]3)[cH:33][cH:34][c:35]([NH2:37])[cH:36]1