HRID816240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID69993

4-Methyloxybenzyl chloride

C8H9ClO

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CN(C)C=Nc1cc(=O)[nH]c(=O)n1-c1ccc(I)cc1F

HCID67025000

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2c(=O)cc(N=CN(C)C)n(-c3ccc(I)cc3F)c2=O)cc1

HCID67025094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bcacb91391643a0923ffc6801d3ccad
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:33][O:34][c:35]1[cH:36][cH:37][c:38]([CH2:39][Cl:40])[cH:41][cH:42]1.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH:43]([OH:44])([CH3:45])[CH3:46].[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:21])[nH:11][c:12](=[O:20])[cH:13][c:14]2[N:15]=[CH:16][N:17]([CH3:18])[CH3:19])[cH:4][cH:5][c:6]([I:8])[cH:7]1.[N:22]12[CH2:23][CH2:24][CH2:25][N:26]=[C:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2.[OH2:52]>>[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:21])[n:11]([CH2:39][c:38]3[cH:37][cH:36][c:35]([O:34][CH3:33])[cH:42][cH:41]3)[c:12](=[O:20])[cH:13][c:14]2[N:15]=[CH:16][N:17]([CH3:18])[CH3:19])[cH:4][cH:5][c:6]([I:8])[cH:7]1