HRID666830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID67872

Benzene, 1-bromo-4-(trifluoromethyl)-

C7H4BrF3

HCID5462224

Magnesium

结构：COC(=O)C12CN(Cc3ccccc3)CC1C(=O)CCC2c1ccccc1

HCID11302988

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C12CN(Cc3ccccc3)CC1C(O)(c1ccc(C(F)(F)F)cc1)CCC2c1ccccc1

HCID86755051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cde97daf948c443bae15f4b5133732c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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