HRID2349777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID73895

Benzene, 1-fluoro-2-nitro-

C6H4FNO2

结构：O=C(NC1(C(=O)NC2CCNCC2O)CCCCC1)c1cc2ccccc2o1

HCID11567995

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1(C(=O)NC2CCN(c3ccccc3[N+](=O)[O-])CC2O)CCCCC1)c1cc2ccccc2o1

HCID69315023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5ecb25460ee4bd9ba7326154968cf8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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