HRID1152823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6331

Borane

H3B

HCID6344

Dichloromethane

CH2Cl2

HCID6597

Dichloroacetic acid

C2H2Cl2O2

结构：CNC(=O)CCCON=Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F

HCID74020029

未命名化合物

PRODUCTS

生成物

结构：O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F

HCID11548630

3,4-Difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide

C20H19F3IN3O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-badd982b37c24597b0a9292ddf6bbefb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BH3:41].[CH2:48]([Cl:49])[Cl:50].[F:1][c:2]1[c:3]([NH:26][c:27]2[c:28]([F:34])[cH:29][c:30]([I:33])[cH:31][cH:32]2)[c:4]([C:5](=[O:6])[NH:7][O:8][CH2:9][CH2:10][OH:11])[cH:12][c:13]([CH:16]=[N:17][O:18][CH2:19][CH2:20][CH2:21][C:22]([NH:23][CH3:24])=[O:25])[c:14]1[F:15].[OH:42][C:43]([CH:44]([Cl:45])[Cl:46])=[O:47].[n:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[F:1][c:2]1[c:3]([NH:26][c:27]2[c:28]([F:34])[cH:29][c:30]([I:33])[cH:31][cH:32]2)[c:4]([C:5](=[O:6])[NH:7][O:8][CH2:9][CH2:10][OH:11])[cH:12][c:13]([CH2:16][N:17]2[O:18][CH2:19][CH2:20][CH2:21][C:22]2=[O:25])[c:14]1[F:15]