HRID1544770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID498716

未命名化合物

HCID14143189

5-(Aminomethyl)pyrrolidin-2-one

C5H10N2O

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C=O)s2)c1

HCID86658252

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CNCC3CCC(=O)N3)s2)c1

HCID58456213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1fa08a4307948f39d4914f7a5e23099
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:39]([BH3-:40])#[N:41].[CH3:1][c:2]1[cH:3][c:4](-[c:19]2[cH:20][n:21][c:22]([CH:24]=[O:25])[s:23]2)[cH:5][c:6]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[n:14]2)[cH:7]1.[CH3:43][C:44](=[O:45])[OH:46].[NH2:26][CH2:27][CH:28]1[CH2:29][CH2:30][C:31](=[O:33])[NH:32]1.[Na+:42].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[CH3:1][c:2]1[cH:3][c:4](-[c:19]2[cH:20][n:21][c:22]([CH2:24][NH:26][CH2:27][CH:28]3[CH2:29][CH2:30][C:31](=[O:33])[NH:32]3)[s:23]2)[cH:5][c:6]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[n:14]2)[cH:7]1