HRID1138485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID11182865

methyl 4-amino-3-fluorobenzoate

C8H8FNO2

结构：O=C(Oc1c(F)c(F)c(F)c(F)c1F)C(c1c2c(nn1-c1ccc(Cl)cc1)CCC2)C1CCCCC1

HCID86657983

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(NC(=O)C(c2c3c(nn2-c2ccc(Cl)cc2)CCC3)C2CCCCC2)c(F)c1

HCID67387838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cdae471e8bd4ccb985d7311da1d70cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:37][O:38][C:39]([c:40]1[cH:41][c:42]([F:47])[c:43]([NH2:46])[cH:44][cH:45]1)=[O:48].[CH3:49][N:50]([c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1)[CH3:57].[F:1][c:2]1[c:3]([O:8][C:9](=[O:4])[CH:10]([CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[n:18](-[c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[n:19][c:20]3[c:21]2[CH2:22][CH2:23][CH2:24]3)[c:5]([F:6])[c:7]([F:32])[c:33]([F:34])[c:35]1[F:36].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[O:8]=[C:9]([CH:10]([CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[c:17]1[n:18](-[c:25]2[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]2)[n:19][c:20]2[c:21]1[CH2:22][CH2:23][CH2:24]2)[NH:46][c:43]1[c:42]([F:47])[cH:41][c:40]([C:39]([O:38][CH3:37])=[O:48])[cH:45][cH:44]1