HRID2349623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID18690833

1-(Trifluoromethanesulfonyl)piperazine

C5H9F3N2O2S

结构：O=C1CCC(N2Cc3c(OCc4cccc(CBr)c4)cccc3C2=O)C(=O)N1

HCID67335917

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(N2Cc3c(OCc4cccc(CN5CCN(S(=O)(=O)C(F)(F)F)CC5)c4)cccc3C2=O)C(=O)N1

HCID67334374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-780fbfc4338e4805acef41a8f11316d7
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][c:5]([CH2:6][O:7][c:8]2[c:9]3[c:13]([cH:14][cH:15][cH:16]2)[C:12](=[O:17])[N:11]([CH:18]2[C:19](=[O:25])[NH:20][C:21](=[O:24])[CH2:22][CH2:23]2)[CH2:10]3)[cH:26][cH:27][cH:28]1.[CH3:51][CH2:52][O:53][CH2:54][CH3:55].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:56][CH2:57][Cl:58].[F:29][C:30]([S:31](=[O:32])(=[O:33])[N:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1)([F:40])[F:41]>>[CH2:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[c:9]3[c:13]([cH:14][cH:15][cH:16]2)[C:12](=[O:17])[N:11]([CH:18]2[C:19](=[O:25])[NH:20][C:21](=[O:24])[CH2:22][CH2:23]2)[CH2:10]3)[cH:26][cH:27][cH:28]1)[N:37]1[CH2:36][CH2:35][N:34]([S:31]([C:30]([F:29])([F:40])[F:41])(=[O:32])=[O:33])[CH2:39][CH2:38]1