HRID289812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

结构：CCOc1nc2cccc(C(=O)OC(C)(C)OC(=O)Oc3ccc([N+](=O)[O-])cc3)c2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID59778748

未命名化合物

结构：CC(CCO)C(O[N+](=O)[O-])C(C)O[N+](=O)[O-]

HCID72323567

未命名化合物

PRODUCTS

生成物

结构：CCOc1nc2cccc(C(=O)OC(C)(C)OC(=O)OCCC(C)C(O[N+](=O)[O-])C(C)O[N+](=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178467368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-254228b23aad4829b554eedce39366ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:17]([CH3:18])[O:19][c:20]1[n:21][c:22]2[c:23]([n:24]1[CH2:25][c:26]1[cH:27][cH:28][c:29](-[c:32]3[c:33](-[c:38]4[n:39][n:40][n:41][n:42]4[C:43]([c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)([c:50]4[cH:51][cH:52][cH:53][cH:54][cH:55]4)[c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)[cH:34][cH:35][cH:36][cH:37]3)[cH:30][cH:31]1)[c:62]([C:66](=[O:67])[O:68][C:69]([CH3:70])([O:71][C:72](=[O:73])[O:74][c:75]1[cH:76][cH:77][c:78]([N+:79]([O-:80])=[O:81])[cH:82][cH:83]1)[CH3:84])[cH:63][cH:64][cH:65]2.[Cl:85][CH2:86][Cl:87].[N+:1](=[O:2])([O:3][CH:4]([CH3:5])[CH:6]([CH:7]([CH2:8][CH2:9][OH:10])[CH3:11])[O:12][N+:13](=[O:14])[O-:15])[O-:16]>>[N+:1](=[O:2])([O:3][CH:4]([CH3:5])[CH:6]([CH:7]([CH2:8][CH2:9][O:10][C:72]([O:71][C:69]([O:68][C:66]([c:62]1[c:23]2[c:22]([n:21][c:20]([O:19][CH2:17][CH3:18])[n:24]2[CH2:25][c:26]2[cH:27][cH:28][c:29](-[c:32]3[c:33](-[c:38]4[n:39][n:40][n:41][n:42]4[C:43]([c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)([c:50]4[cH:51][cH:52][cH:53][cH:54][cH:55]4)[c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)[cH:34][cH:35][cH:36][cH:37]3)[cH:30][cH:31]2)[cH:65][cH:64][cH:63]1)=[O:67])([CH3:70])[CH3:84])=[O:73])[CH3:11])[O:12][N+:13](=[O:14])[O-:15])[O-:16]