HRID112316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID80447

1-(4-Nitrophenyl)piperazine

C10H13N3O2

结构：O=C(NCC(F)(F)F)C1(CCCCBr)c2ccccc2-c2ccccc21

HCID10526437

9-(4-Bromobutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

C20H19BrF3NO

PRODUCTS

生成物

结构：O=C(NCC(F)(F)F)C1(CCCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2-c2ccccc21

HCID22640089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e7068903394474abbacd49dcff1e509
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

[F:16][C:17]([CH2:18][NH:19][C:20](=[O:21])[C:22]1([CH2:35][CH2:36][CH2:37][CH2:38][Br:39])[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2-[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]21)([F:40])[F:41].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:8][cH:9]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH2:12][N:13]([CH2:38][CH2:37][CH2:36][CH2:35][C:22]3([C:20]([NH:19][CH2:18][C:17]([F:16])([F:40])[F:41])=[O:21])[c:23]4[cH:24][cH:25][cH:26][cH:27][c:28]4-[c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]43)[CH2:14][CH2:15]2)[cH:8][cH:9]1