HRID155384

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

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23925

Iron

结构：CC(C)(C)OC(=O)NC1CC=C(C#Cc2cnccc2Oc2ccc([N+](=O)[O-])cc2F)CC1

HCID59853035

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CC=C(C#Cc2cnccc2Oc2ccc(N)cc2F)CC1

HCID59853058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05e9c099deaf4aaebe3a6f270e401f2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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