HRID99154

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

HCID6323

Methyl bromide

CH3Br

HCID8028

Tetrahydrofuran

C4H8O

HCID5462224

Magnesium

结构：O=Cc1cc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)ccc1Cl

HCID16737129

未命名化合物

PRODUCTS

生成物

结构：CC(O)c1cc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)ccc1Cl

HCID16737153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c3274e7300d41f59bc7a477a97ee85e
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

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