HRID2333032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID18690833

1-(Trifluoromethanesulfonyl)piperazine

C5H9F3N2O2S

结构：O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CBr)cc4)c3C2=O)C(=O)N1

HCID67334102

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCN(S(=O)(=O)C(F)(F)F)CC5)cc4)c3C2=O)C(=O)N1

HCID58389203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98cc696cb636479f804e6a37f30703ab
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

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