HRID1215591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1031

1-Propanol

C3H8O

HCID8058

n-Hexane

C6H14

HCID20064

1-(Ethoxycarbonyl)hydrazine

C3H8N2O2

结构：CC(=O)c1c(OCc2ccccc2)ccc(Oc2c(C)cc([N+](=O)[O-])c3c2CCC3)c1O

HCID21110561

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)NN=C(C)c1c(OCc2ccccc2)ccc(Oc2c(C)cc([N+](=O)[O-])c3c2CCC3)c1O

HCID136351689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-708c1ec5f70c40b6b90f43485f824fb4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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