HRID1153443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7504

Benzylamine

C7H9N

HCID10240761

2-Cyclopropylethylamine

C5H11N

结构：Cc1nc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C2=O)sc1C(=O)O

HCID59481284

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C2=O)sc1C(=O)NCCC1CC1

HCID25095419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e0e196c59e0458e885f46a10fe3e5f2
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

[CH3:15][c:16]1[n:17][c:18]([N:24]2[C:25](=[O:41])[N:26]([CH2:29][c:30]3[cH:31][cH:32][c:33]([O:36][C:37]([F:38])([F:39])[F:40])[cH:34][cH:35]3)[CH2:27][CH2:28]2)[s:19][c:20]1[C:21](=[O:22])[OH:23].[CH:9]1([CH2:12][CH2:13][NH2:14])[CH2:10][CH2:11]1.[NH2:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[CH:9]1([CH2:12][CH2:13][NH:14][C:21]([c:20]2[c:16]([CH3:15])[n:17][c:18]([N:24]3[C:25](=[O:41])[N:26]([CH2:29][c:30]4[cH:31][cH:32][c:33]([O:36][C:37]([F:38])([F:39])[F:40])[cH:34][cH:35]4)[CH2:27][CH2:28]3)[s:19]2)=[O:22])[CH2:10][CH2:11]1