HRID158859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID949

N,N-Dimethylaniline

C8H11N

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID8028

Tetrahydrofuran

C4H8O

HCID7147253

未命名化合物

HCID11011301

tert-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate

C15H23N3O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(NC4CCCC4)n3)cc2)CC1

HCID58786785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef72685ff5fd4687bcbe5de00a35a613
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:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[N:33]1[CH2:34][CH2:35][N:36]([c:39]2[cH:40][cH:41][c:42]([NH2:45])[cH:43][cH:44]2)[CH2:37][CH2:38]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:17][N:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH3:25].[CH3:51][CH:52]([OH:53])[CH3:54].[CH3:55][C:56](=[O:57])[OH:58].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:14](=[O:15])[O-:16])[c:6]([NH:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)[n:7]1.[OH2:59]>>[c:2]1([NH:45][c:42]2[cH:41][cH:40][c:39]([N:36]3[CH2:35][CH2:34][N:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:38][CH2:37]3)[cH:44][cH:43]2)[n:3][cH:4][c:5]([N+:14](=[O:15])[O-:16])[c:6]([NH:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)[n:7]1