HRID283792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID123062

1-(Bromomethyl)-4-(trifluoromethyl)benzene

C8H6BrF3

结构：O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CC2(CCNCC2)C1

HCID53391432

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1

HCID67359063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a326e63a330a43e494c0f8751149e40d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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