HRID1152759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID7047

Quinoline

C9H7N

HCID7345

N-Acetylalanine

C5H9NO3

HCID7972

4-Methylmorpholine

C5H11NO

HCID8471

Triethylamine

C6H15N

HCID12866349

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC(C)C(=O)Nc1cccc2c(=O)c(C(=O)O)c[nH]c12

HCID13136878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe0f09841b1f4e9da8e323965f3c5e7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:10][N:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1.[CH3:1][CH:2]([NH:3][C:4]([CH3:5])=[O:6])[C:7]([OH:8])=[O:9].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:62][C:63]#[N:64].[Cl:17][C:18]([O:19][CH3:20])=[O:21].[Cl:44][Si:45]([CH3:46])([CH3:47])[CH3:48].[Cl:59][CH2:60][Cl:61].[NH2:22][c:23]1[cH:24][cH:25][cH:26][c:27]2[c:28](=[O:36])[c:29]([C:33](=[O:34])[OH:35])[cH:30][nH:31][c:32]12.[cH:49]1[cH:50][c:51]2[c:52]([n:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58]1>>[CH3:1][CH:2]([NH:3][C:4]([CH3:5])=[O:6])[C:7](=[O:9])[NH:22][c:23]1[cH:24][cH:25][cH:26][c:27]2[c:28](=[O:36])[c:29]([C:33](=[O:34])[OH:35])[cH:30][nH:31][c:32]12