HRID2327332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

结构：Cc1ccc(-c2nc3c(Br)cc4c(c3[nH]2)C(=O)NC(=O)C4(C)C)cc1[N+](=O)[O-]

HCID45486718

未命名化合物

结构：COc1ccc(CCN(CCCO)C(=O)OC(C)(C)C)cc1OC

HCID59645489

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CCN(CCCN2C(=O)c3c(cc(Br)c4nc(-c5ccc(C)c([N+](=O)[O-])c5)[nH]c34)C(C)(C)C2=O)C(=O)OC(C)(C)C)cc1OC

HCID59645483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e21ccf318ce34baaa84fec16eee686f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:15][c:16]1[cH:17][c:18]2[c:23]([c:24]3[c:25]1[n:26][c:27](-[c:29]1[cH:30][c:31]([N+:36](=[O:37])[O-:38])[c:32]([CH3:35])[cH:33][cH:34]1)[nH:28]3)[C:22](=[O:39])[NH:21][C:20](=[O:40])[C:19]2([CH3:41])[CH3:42].[CH2:86]1[O:87][CH2:88][CH2:89][CH2:90]1.[CH3:43][O:44][c:45]1[cH:46][c:47]([CH2:53][CH2:54][N:55]([C:56]([O:57][C:58]([CH3:59])([CH3:60])[CH3:61])=[O:62])[CH2:63][CH2:64][CH2:65][OH:66])[cH:48][cH:49][c:50]1[O:51][CH3:52].[CH3:94][C:95](=[O:96])[CH3:97].[Cl:91][CH2:92][Cl:93].[O:1]=[C:2]([O:3][CH:4]([CH3:5])[CH3:6])[N:7]=[N:8][C:9]([O:10][CH:11]([CH3:12])[CH3:13])=[O:14].[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[Br:15][c:16]1[cH:17][c:18]2[c:23]([c:24]3[c:25]1[n:26][c:27](-[c:29]1[cH:30][c:31]([N+:36](=[O:37])[O-:38])[c:32]([CH3:35])[cH:33][cH:34]1)[nH:28]3)[C:22](=[O:39])[N:21]([CH2:65][CH2:64][CH2:63][N:55]([CH2:54][CH2:53][c:47]1[cH:46][c:45]([O:44][CH3:43])[c:50]([O:51][CH3:52])[cH:49][cH:48]1)[C:56]([O:57][C:58]([CH3:59])([CH3:60])[CH3:61])=[O:62])[C:20](=[O:40])[C:19]2([CH3:41])[CH3:42]