HRID138236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)C1CC(N)CN(c2nc(C)cc(Nc3ccn[nH]3)n2)C1

HCID66660392

未命名化合物

结构：CC(OC(=O)Oc1ccc([N+](=O)[O-])cc1)C(F)(F)F

HCID66696914

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CC(NC(=O)OC(C)C(F)(F)F)CN(c2nc(C)cc(Nc3ccn[nH]3)n2)C1

HCID178498451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5a60f6a6bcd4e3ba81f806a3928d870
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:25]([O:26][c:28]1[cH:29][cH:30][c:31]([N+:32]([O-:33])=[O:34])[cH:35][cH:43]1)(=[O:27])[O:36][CH:37]([C:38]([F:39])([F:40])[F:41])[CH3:42].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl:44][CH:45]([Cl:46])[Cl:47].[NH2:1][CH:2]1[CH2:3][CH:4]([C:21](=[O:22])[O:23][CH3:24])[CH2:5][N:6]([c:8]2[n:9][c:10]([NH:15][c:16]3[cH:17][cH:18][n:19][nH:20]3)[cH:11][c:12]([CH3:14])[n:13]2)[CH2:7]1>>[NH:1]([CH:2]1[CH2:3][CH:4]([C:21](=[O:22])[O:23][CH3:24])[CH2:5][N:6]([c:8]2[n:9][c:10]([NH:15][c:16]3[cH:17][cH:18][n:19][nH:20]3)[cH:11][c:12]([CH3:14])[n:13]2)[CH2:7]1)[C:25](=[O:26])[O:36][CH:37]([C:38]([F:39])([F:40])[F:41])[CH3:42]