HRID182455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID7134

Benzeneacetic acid, 2-methoxy-

C9H10O3

HCID7914

Isopropyl ether

C6H14O

HCID8471

Triethylamine

C6H15N

HCID21264544

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CC(=O)N1CC2C(=O)CCC(c3ccccc3)(c3ccccc3)C2C1

HCID67915851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a743fe824006408ba5dc0e451498312f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4]([CH2:9][C:10](=[O:11])[OH:12])[cH:5][cH:6][cH:7][cH:8]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:46][C:47]#[N:48].[CH:49]([O:50][CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:43][CH2:44][Cl:45].[ClH:13].[c:14]1([C:20]2([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:21][CH2:22][C:23](=[O:29])[CH:24]3[CH2:25][NH:26][CH2:27][CH:28]23)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:9][C:10](=[O:12])[N:26]2[CH2:25][CH:24]3[C:23](=[O:29])[CH2:22][CH2:21][C:20]([c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH:28]3[CH2:27]2)[cH:5][cH:6][cH:7][cH:8]1