HRID1147536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID6329

Methylamine

CH5N

HCID2724942

未命名化合物

反应SMILES：CNC(=O)c1c(NC(=O)Cn2cc(C=O)c(C(C)(C)C)n2)sc2c1CCCC2

HCID59520517

未命名化合物

PRODUCTS

产物

反应SMILES：CNCc1cn(CC(=O)Nc2sc3c(c2C(=O)NC)CCCC3)nc1C(C)(C)C

HCID59520501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ade0101ae43a465abe535e4af908d239
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

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