HRID1556954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7504

Benzylamine

C7H9N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID13586794

未命名化合物

HCID54200705

未命名化合物

PRODUCTS

生成物

结构：O=C(C=c1sc2n(c1=O)Cc1ccccc1N=2)NCc1ccccc1

HCID54292886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-735efe4e13db4795b5afd52147f6e160
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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