HRID109643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20071424

1-{4-[(6-Bromohexyl)oxy]butyl}-4-nitrobenzene

C16H24BrNO3

结构：CC(C)(C)[Si](C)(C)OC(CNCCCC#Cc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(O)c2[nH]c(=O)ccc12

HCID87227381

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC(CNCCCCCCOCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(O)c2[nH]c(=O)ccc12

HCID66988348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34f007091f664046b5d9d65a978e2aa8
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

[Br:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][O:49][CH2:50][CH2:51][CH2:52][CH2:53][c:54]1[cH:55][cH:56][c:57]([N+:60](=[O:61])[O-:62])[cH:58][cH:59]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][NH:9][CH2:10][CH2:11][CH2:12][C:13]#[C:14][c:15]1[cH:16][cH:17][c:18]([NH:19][C:20](=[O:21])[C:22]([F:23])([F:24])[F:25])[cH:26][cH:27]1)[c:28]1[c:29]2[cH:30][cH:31][c:32](=[O:39])[nH:33][c:34]2[c:35]([OH:38])[cH:36][cH:37]1)([CH3:40])[CH3:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][NH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:48][O:49][CH2:50][CH2:51][CH2:52][CH2:53][c:54]1[cH:55][cH:56][c:57]([N+:60](=[O:61])[O-:62])[cH:58][cH:59]1)[c:28]1[c:29]2[cH:30][cH:31][c:32](=[O:39])[nH:33][c:34]2[c:35]([OH:38])[cH:36][cH:37]1)([CH3:40])[CH3:41]