HRID1138489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID69703

Acetyl chloride, phenoxy-

C8H7ClO2

结构：CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1

HCID22272542

tert-Butyl 4-(3-amino-4-nitrophenyl)piperazine-1-carboxylate

C15H22N4O4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC(=O)COc3ccccc3)c2)CC1

HCID68463643

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9ad6c42c32547c9a6e8e48b957c87fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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