HRID2330038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7965

Cyclohexylamine

C6H13N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

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：O=C(NC1CCCCC1)C(c1c2c(nn1-c1ccc(Cl)cc1)CCC2)C1CCCCC1

HCID53390254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cb036102e1c4bf0bf774415c35a058c
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

[CH3:49][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:4][C:9]([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)=[O:32])[c:5]([F:6])[c:7]([F:8])[c:33]([F:34])[c:35]1[F:36].[NH2:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[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)(=[O:32])[NH:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1