HRID828452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID7914

Isopropyl ether

C6H14O

HCID8471

Triethylamine

C6H15N

HCID17124

(2-Chlorophenyl)acetic acid

C8H7ClO2

反应SMILES：O=C1CCC(c2ccccc2)(c2ccccc2)C2CNCC12

HCID21264544

未命名化合物

PRODUCTS

产物

反应SMILES：O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3ccccc3Cl)CC12

HCID67915818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4d4e6942ed5d4c7d9a765b5d256e0811
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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