HRID171815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(F)cc(Br)c1)N2

HCID67443771

未命名化合物

HCID178528064

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(F)cc(C3CCCCC3)c1)N2

HCID67441742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c8b06a80aa445f1806412a07f7fde93
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

[Br-:26].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([Br:23])[cH:19][c:20]([F:22])[cH:21]1)[C:10]([CH3:24])([CH3:25])[CH2:9]2.[CH:27]1([Zn+:33])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1.[Cl-:39].[NH4+:40].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]3)[cH:19][c:20]([F:22])[cH:21]1)[C:10]([CH3:24])([CH3:25])[CH2:9]2