HRID2325001

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

HCID25050817

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：COc1ccccc1CCCCC(=O)Nc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F

HCID57526948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9719d73ee574c399a28936874202140
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

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