HRID140391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11575

Benzene, iodo-

C6H5I

结构：NC(=O)c1cc(Oc2cc(F)c(NC(=O)C3(C(=O)OCc4ccccc4)CC3)cc2F)ccn1

HCID24788627

未命名化合物

PRODUCTS

生成物

结构：Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)OCc4ccccc4)CC3)cc2F)ccn1

HCID24788626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5a5a96a4cbe433f8de7e92df1f49974
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:36]([OH:37])(=[O:38])[CH3:39].[C:40]([OH:41])(=[O:42])[CH3:43].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[I:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[NH2:1][C:2](=[O:3])[c:4]1[n:5][cH:6][cH:7][c:8]([O:10][c:11]2[cH:12][c:13]([F:34])[c:14]([NH:18][C:19](=[O:20])[C:21]3([C:24](=[O:25])[O:26][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH2:22][CH2:23]3)[cH:15][c:16]2[F:17])[cH:9]1.[OH2:35]>>[c:4]1([NH2:52])[n:5][cH:6][cH:7][c:8]([O:10][c:11]2[cH:12][c:13]([F:34])[c:14]([NH:18][C:19](=[O:20])[C:21]3([C:24](=[O:25])[O:26][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH2:22][CH2:23]3)[cH:15][c:16]2[F:17])[cH:9]1