HRID2154652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID18398

Iso-caprolactone

C6H10O2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：Nc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1

HCID86638547

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)CCC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1

HCID86638549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da961b4fca5745a99cd8486286df5a99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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