HRID1239306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8900

Heptane

C7H16

HCID600848

4-Trifluoromethoxyaniline

C7H6F3NO

HCID16685399

未命名化合物

结构：CCOC(=O)C1(CCOC)CCN(C(=O)CCC(C)(C)C)CC1

HCID66787408

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CCC(=O)N1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O

HCID49801960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3668b40c79df413f9bdd68f7ec30b2e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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