HRID1555981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID5250894

未命名化合物

结构：O=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

HCID11057468

4-[4-(4-Fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]benzoic acid

C21H14FN3O2

HCID12874682

2-Hydroxy-N,N-dimethylacetamide

C4H9NO2

PRODUCTS

生成物

结构：CN(C)C(=O)COC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

HCID70237481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca82f28e9d2d4b68a8e29af7ab7af620
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

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