HRID183485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4661

4-Nitrophenylacetic acid

C8H7NO4

结构：CNCCCN(C)C(=O)COC1Cc2ccccc2C12CCN(CCC1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2

HCID178483792

未命名化合物

PRODUCTS

生成物

结构：CN(CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)COC1Cc2ccccc2C12CCN(CCC1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2

HCID178483786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d562e92c76e40ec88c9a1e5cbfabddb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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