HRID283366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4653

p-Fluorophenethylamine

C8H10FN

结构：CCOC(=O)c1nnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1

HCID11582388

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCc1ccc(F)cc1)c1nnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1

HCID11706135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62971f93b5004ec49e9f0e3f39fea362
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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