HRID120381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID53167

1-Methylpiperazine

C5H12N2

结构：CCOc1ccc(-c2cc3[nH]c(CCl)nc3c(C#N)n2)cc1C(F)(F)F

HCID58938114

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(-c2cc3[nH]c(CN4CCN(C)CC4)nc3c(C#N)n2)cc1C(F)(F)F

HCID17747198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67b7ce9cc8204e1198f22f85c08c27ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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