HRID2311002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)N1CCCCC1C1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1

HCID72309764

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)(C2CCCCN2)C1

HCID51038893

[3,4-Difluoro-2-(2-fluoro-4-iodoanilino)phenyl][3-hydroxy-3-(piperidin-2-yl)azetidin-1-yl]methanone

C21H21F3IN3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce4b69942ca94865976f813d5df5372c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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