HRID134144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID57526931

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(N)c2)CC1

HCID57526939

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(NC(=O)CCc3ccc(Oc4ccc(F)c(F)c4)cc3)c2)CC1

HCID57526924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb7c9baea7914664aa4153ac3a9177b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][CH:31]([c:34]2[cH:35][c:36]([NH2:41])[c:37]([F:40])[cH:38][cH:39]2)[CH2:32][CH2:33]1.[CH3:46][N:47]([CH3:48])[c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1.[Cl:42][CH2:43][Cl:44].[F:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([CH2:12][CH2:13][C:14](=[O:15])[OH:16])[cH:10][cH:11]2)[cH:17][cH:18][c:19]1[F:20].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:45]>>[F:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([CH2:12][CH2:13][C:14](=[O:16])[NH:41][c:36]3[cH:35][c:34]([CH:31]4[CH2:30][CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH2:33][CH2:32]4)[cH:39][cH:38][c:37]3[F:40])[cH:10][cH:11]2)[cH:17][cH:18][c:19]1[F:20]