HRID189008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID65596

3-(Dodecyloxy)propylamine

C15H33NO

反应SMILES：O=C(O)c1ccc(-n2oc(-c3ccccc3)c(CCl)c2=O)c([N+](=O)[O-])c1

HCID19982502

4-Chloromethyl-5-phenyl-2-(4-carboxy-2-nitrophenyl)-4-isoxazolin-3-one

C17H11ClN2O6

PRODUCTS

产物

反应SMILES：CCCCCCCCCCCCOCCCNC(=O)c1ccc(-n2oc(-c3ccccc3)c(CCl)c2=O)c([N+](=O)[O-])c1

HCID14324483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0a79bdce2f3f4359aa03634d7444274d
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

[CH2:42]([CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53])[O:54][CH2:55][CH2:56][CH2:57][NH2:58].[CH:1]1([N:2]=[C:3]=[N:4][CH:5]2[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]2)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[CH:59]([Cl:60])([Cl:61])[Cl:62].[Cl:16][CH2:17][c:18]1[c:19](=[O:41])[n:20](-[c:29]2[c:30]([N+:38](=[O:39])[O-:40])[cH:31][c:32]([C:35](=[O:36])[OH:37])[cH:33][cH:34]2)[o:21][c:22]1-[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[Cl:16][CH2:17][c:18]1[c:19](=[O:41])[n:20](-[c:29]2[c:30]([N+:38](=[O:39])[O-:40])[cH:31][c:32]([C:35](=[O:37])[NH:58][CH2:57][CH2:56][CH2:55][O:54][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53])[cH:33][cH:34]2)[o:21][c:22]1-[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1