HRID211905

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID9893

Methyl trifluoroacetate

C3H3F3O2

HCID18761772

1,2,2,3-Tetramethylpiperidine

C9H19N

结构：O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(Cl)c(F)cc12

HCID21948186

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：O=C(c1c(F)c(Cl)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1)C(F)(F)F

HCID21948213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e01e64f763b495fac0db86340b87832
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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