HRID1575553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67326

Benzenemethanamine, 4-fluoro-

C7H8FN

HCID123589

2,5-Difluorobenzylamine

C7H7F2N

反应SMILES：Cc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)O

HCID57919866

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1cc(F)ccc1F

HCID25094600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-de585db08dcc497693f6fc726c90664e
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

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