HRID122282

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-

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C=O)C(=O)CC1(CCC1)O2

HCID58003041

未命名化合物

HCID178440988

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(O)c1ccc(C(C)(C)C)cc1)C(=O)CC1(CCC1)O2

HCID58002957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-669d032d19fd4ce6b4076f2b82d77e55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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