HRID116786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID57588308

未命名化合物

结构：C=CC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

HCID57588443

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)CCNc1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1

HCID69055155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31d026e29c124865bf4775066722535c
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[C:19]([CH:20]=[CH2:21])=[O:22].[CH3:53][C:54]#[N:55].[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[Cl:24][c:25]1[c:26](-[c:32]2[n:33][o:34][c:35](-[c:37]3[n:38][cH:39][cH:40][c:41]([NH2:43])[cH:42]3)[cH:36]2)[c:27]([Cl:31])[cH:28][cH:29][cH:30]1.[Cl:56][CH2:57][Cl:58].[ClH:23]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[C:19]([CH2:20][CH2:21][NH:43][c:41]1[cH:40][cH:39][n:38][c:37](-[c:35]2[o:34][n:33][c:32](-[c:26]3[c:25]([Cl:24])[cH:30][cH:29][cH:28][c:27]3[Cl:31])[cH:36]2)[cH:42]1)=[O:22]