HRID942440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID89683

2,3,4-Trimethoxy-6-methylbenzaldehyde

C11H14O4

HCID18539797

Pyridine, 2-methoxy-4-(trifluoromethyl)-

C7H6F3NO

HCID23082644

5-Bromo-2-methoxy-4-(trifluoromethyl)pyridine

C7H5BrF3NO

HCID178418339

未命名化合物

HCID178506747

未命名化合物

HCID178506768

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(C(O)c2c(OC)ncc(Br)c2C(F)(F)F)c(OC)c1OC

HCID23082661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcd23be8f69b41898fd8b26884b9a2d0
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:13][c:14]1[c:15]([C:22]([F:23])([F:24])[F:25])[cH:16][c:17]([O:20][CH3:21])[n:18][cH:19]1.[Br:38][c:39]1[c:40]([C:41]([F:42])([F:43])[F:44])[c:45]([Li:46])[c:47]([O:48][CH3:49])[n:50][cH:51]1.[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:65][O:66][c:67]1[c:68]([CH:69]=[O:70])[c:71]([CH3:79])[cH:72][c:73]([O:77][CH3:78])[c:74]1[O:75][CH3:76].[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[F:26][C:27]([F:28])([F:29])[c:30]1[cH:31][cH:32][n:33][c:34]([O:35][CH3:36])[cH:37]1.[F:52][C:53]([F:54])([F:55])[c:56]1[cH:57][cH:58][n:59][c:60]([O:61][CH3:62])[c:63]1[Li:64].[O:80]1[CH2:81][CH2:82][CH2:83][CH2:84]1.[OH2:85]>>[Br:13][c:14]1[c:15]([C:22]([F:23])([F:24])[F:25])[c:16]([CH:69]([c:68]2[c:67]([O:66][CH3:65])[c:74]([O:75][CH3:76])[c:73]([O:77][CH3:78])[cH:72][c:71]2[CH3:79])[OH:70])[c:17]([O:20][CH3:21])[n:18][cH:19]1