HRID2336405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID79208

3-(4-Methyl-1-piperazine)propan-1-ol

C8H18N2O

HCID166653

Hydride

H-

结构：O=c1[nH]c2ccc(Cn3nc(-c4cc(F)c(F)c(F)c4)ccc3=O)cc2[nH]1

HCID59406820

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CCCOc2c(F)cc(-c3ccc(=O)n(Cc4ccc5[nH]c(=O)[nH]c5c4)n3)cc2F)CC1

HCID25098875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d6537f79b8441c9bee2145987d2dccc
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

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