HRID288973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID7805

4-Bromotoluene

C7H7Br

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)cc1)CCC2c1ccccc1

HCID11328545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c12ff1d3273a41c6b0344200eff52f4e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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