HRID1201516

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

HCID8857

Ethyl acetate

C4H8O2

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

HCID11592415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4a96a0461204aab9e36a35ca12b033f
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

[BH3:44].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:35][CH2:36][Cl:37].[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:45][C:46]([CH:47]([Cl:48])[Cl:49])=[O:50].[n:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]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][NH:17][O:18][CH2:19][CH2:20][CH2:21][C:22]([NH:23][CH3:24])=[O:25])[c:14]1[F:15]