HRID156392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1049

Pyridine

C5H5N

HCID3776

Isopropanol

C3H8O

HCID4837

Piperazine

C4H10N2

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID7973

2-Bromopyridine

C5H4BrN

HCID81531

Diisopropylethylamine

C8H19N

HCID45480236

5-Bromo-4-chloro-3-nitropyridin-2-amine

C5H3BrClN3O2

结构：CC(c1ccccn1)N1CCN(c2c(Br)cnc(N)c2[N+](=O)[O-])CC1

HCID57897148

未命名化合物

结构：COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cn1

HCID57897155

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCN(c3c(Br)cnc(N)c3[N+](=O)[O-])CC2)cn1

HCID57897154

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f803b673d6741e6ab8800e20b9334ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][N:15]([CH:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][n:24]3)[CH3:25])[CH2:16][CH2:17]2)[c:4]([N+:9](=[O:10])[O-:11])[c:5]([NH2:8])[n:6][cH:7]1.[Br:55][c:56]1[c:57]([Cl:58])[c:59]([N+:60]([O-:61])=[O:62])[c:63]([NH2:64])[n:65][cH:66]1.[Br:73][c:74]1[cH:75][cH:76][cH:77][cH:78][n:79]1.[CH2:67]1[NH:68][CH2:69][CH2:70][NH:71][CH2:72]1.[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([CH2:34][N:35]2[CH2:36][CH2:37][N:38]([C:39]([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[CH2:46][CH2:47]2)[cH:32][n:33]1.[CH3:99][S:100]([CH3:101])=[O:102].[CH:80]([OH:81])([CH3:82])[CH3:83].[CH:84]([N:85]([CH2:86][CH3:87])[CH:88]([CH3:89])[CH3:90])([CH3:91])[CH3:92].[Cl:103][CH2:104][Cl:105].[F:48][C:49]([F:50])([F:51])[C:52]([OH:53])=[O:54].[cH:93]1[cH:94][cH:95][n:96][cH:97][cH:98]1>>[Br:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][N:15]([CH2:18][c:31]3[cH:30][cH:29][c:28]([O:27][CH3:26])[n:33][cH:32]3)[CH2:16][CH2:17]2)[c:4]([N+:9](=[O:10])[O-:11])[c:5]([NH2:8])[n:6][cH:7]1