HRID1234277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2779901

6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid

C9H7FO4

结构：NCC1CC2CC2N1C(=O)c1nc(N)sc1-c1cccc(F)c1

HCID178509363

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(C(=O)N2C(CNC(=O)c3cc(F)cc4c3OCOC4)CC3CC32)c(-c2cccc(F)c2)s1

HCID178508551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a7b66e93c404ed4a04a5bed8f4b085e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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