HRID1228630

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

HCID34176329

2-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyrazine

C6H7F3N4

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(CN5CCn6nc(C(F)(F)F)nc6C5)c4)cccc3C2=O)C(=O)N1

HCID53354095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49e4509d8eea48aa8f7bea7c24fc75e4
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

[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.[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[CH3:60][CH2:61][O:62][CH2:63][CH3:64].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:51][CH2:52][Cl:53].[F:29][C:30]([c:31]1[n:32][n:33]2[c:34]([n:39]1)[CH2:35][NH:36][CH2:37][CH2:38]2)([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:36]1[CH2:35][c:34]2[n:33]([n:32][c:31]([C:30]([F:29])([F:40])[F:41])[n:39]2)[CH2:38][CH2:37]1