HRID106034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

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

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-c2nnn[nH]2)cc1

HCID178467369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8b8e6b1f0134285b2f6a26e990f7868
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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