HRID289220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6108

4-Nitrobenzoic acid

C7H5NO4

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1)C1CCC(O)CC1

HCID59752308

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1)C1CCC(OC(=O)c2ccc([N+](=O)[O-])cc2)CC1

HCID59752309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-515da36c202341339ab36c6fb768f3c7
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

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