HRID1220308

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

HCID8028

Tetrahydrofuran

C4H8O

HCID68504

Benzene, 4-bromo-1,2-dimethyl-

C8H9Br

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)c(C)c1)CCC2c1ccccc1

HCID86755048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17e0881600d149729a81820561d936fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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