HRID1551417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID240

Benzaldehyde

C7H6O

HCID8016

N-Methyl-N-hydroxyethylamine

C3H9NO

HCID8071

未命名化合物

HCID9005

Trimethoxymethane

C4H10O3

HCID498716

未命名化合物

HCID21914326

未命名化合物

PRODUCTS

生成物

结构：CN(CCO)Cc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1

HCID44560806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a57515300709451fae37ab81ac4cb8f4
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:33]([BH3-:34])#[N:35].[CH3:21][NH:22][CH2:23][CH2:24][OH:25].[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[CH3:50][C:51](=[O:52])[OH:53].[CH:26]([O:27][CH3:28])([O:29][CH3:30])[O:31][CH3:32].[CH:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)=[O:43].[NH2:1][C:2](=[O:3])[NH:4][c:5]1[s:6][c:7](-[c:13]2[cH:14][cH:15][c:16]([CH:19]=[O:20])[cH:17][cH:18]2)[cH:8][c:9]1[C:10](=[O:11])[NH2:12]>>[NH2:1][C:2](=[O:3])[NH:4][c:5]1[s:6][c:7](-[c:13]2[cH:14][cH:15][c:16]([CH2:19][N:22]([CH3:21])[CH2:23][CH2:24][OH:25])[cH:17][cH:18]2)[cH:8][c:9]1[C:10](=[O:11])[NH2:12]