HRID196156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID89683

2,3,4-Trimethoxy-6-methylbenzaldehyde

C11H14O4

HCID10243220

2-Fluoro-3-iodo-5-methylpyridine

C6H5FIN

HCID178506733

未命名化合物

HCID178506759

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(C(O)c2c(F)ncc(C)c2I)c(OC)c1OC

HCID23082609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0db1e61476484144874f58b57395db2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:37][O:38][c:39]1[c:40]([CH:41]=[O:42])[c:43]([CH3:51])[cH:44][c:45]([O:49][CH3:50])[c:46]1[O:47][CH3:48].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[F:17][c:18]1[c:19]([I:20])[c:21]([Li:22])[c:23]([CH3:24])[cH:25][n:26]1.[F:27][c:28]1[n:29][cH:30][c:31]([CH3:36])[c:32]([I:35])[c:33]1[Li:34].[F:8][c:9]1[c:10]([I:11])[cH:12][c:13]([CH3:14])[cH:15][n:16]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:57]>>[F:27][c:28]1[n:29][cH:30][c:31]([CH3:36])[c:32]([I:35])[c:33]1[CH:41]([c:40]1[c:39]([O:38][CH3:37])[c:46]([O:47][CH3:48])[c:45]([O:49][CH3:50])[cH:44][c:43]1[CH3:51])[OH:42]