HRID2342796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7961

Bromobenzene

C6H5Br

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID67220731

4-Chloro-3-iodo-1-[(4-methoxyphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine

C14H11ClIN3O

结构：Cn1c(CC2CCCCC2)ncc(-c2ccc(O)c(F)c2)c1=O

HCID68516159

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(I)c3c(Oc4ccc(-c5cnc(CC6CCCCC6)n(C)c5=O)cc4F)ccnc32)cc1

HCID68517045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be42b410afc04b1485148076b564fb0c
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

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