HRID2343894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6597

Dichloroacetic acid

C2H2Cl2O2

HCID120273

N-Iodosuccinimide

C4H4INO2

结构：COC(=O)c1ccc(C)c(-n2cnc(OCc3ccc(F)cc3F)cc2=O)c1

HCID21090188

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C)c(-n2cnc(OCc3ccc(F)cc3F)c(I)c2=O)c1

HCID21089020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9710181cc8441aabeeafff860204990
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

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