HRID687090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CC(C)(C)C1CCC(Oc2ccc3cc(C(C)(CCC(=O)O)[N+](=O)[O-])ccc3c2)CC1

HCID86642903

未命名化合物

反应SMILES：COC(=O)CCC(C)(c1ccc2c(C(F)(F)F)c(OC3CCC(C(C)(C)C)CC3)ccc2c1)[N+](=O)[O-]

HCID86642905

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)C1CCC(Oc2ccc3cc(C(C)(CCC(=O)O)[N+](=O)[O-])ccc3c2C(F)(F)F)CC1

HCID86642906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5e7d5700ba86442f8b5764406506c83c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[C:1]([CH:2]1[CH2:3][CH2:4][CH:5]([O:6][c:7]2[cH:8][c:9]3[c:10]([cH:11][cH:12]2)[cH:13][c:14]([C:15]([N+:16]([O-:17])=[O:18])([CH3:19])[CH2:20][CH2:21][C:22]([OH:23])=[O:24])[cH:25][cH:26]3)[CH2:27][CH2:28]1)([CH3:29])([CH3:30])[CH3:31].[C:32]([CH3:33])([CH3:34])([CH3:35])[CH:36]1[CH2:37][CH2:38][CH:39]([O:42][c:43]2[c:44]([C:64]([F:65])([F:66])[F:67])[c:45]3[cH:46][cH:47][c:48]([C:53]([CH2:54][CH2:55][C:56](=[O:57])[O:58][CH3:59])([CH3:60])[N+:61](=[O:62])[O-:63])[cH:49][c:50]3[cH:51][cH:52]2)[CH2:40][CH2:41]1>>[C:32]([CH3:33])([CH3:34])([CH3:35])[CH:36]1[CH2:37][CH2:38][CH:39]([O:42][c:43]2[c:44]([C:64]([F:65])([F:66])[F:67])[c:45]3[cH:46][cH:47][c:48]([C:53]([CH2:54][CH2:55][C:56](=[O:57])[OH:58])([CH3:60])[N+:61](=[O:62])[O-:63])[cH:49][c:50]3[cH:51][cH:52]2)[CH2:40][CH2:41]1