HRID1558347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2782362

1-(3-fluorophenyl)ethanamine

C8H10FN

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(=O)O)CC1

HCID178466389

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(=O)NC(C)c2cccc(F)c2)CC1

HCID178466366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3f72d4c771740cbb1a1f7b8b7a52c3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:44][CH2:45][CH3:46])[c:8]([C:11]2=[N:15][C:14]([CH3:16])([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[C:13]([CH3:24])([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[N:12]2[C:32](=[O:33])[N:34]2[CH2:35][CH2:36][CH:37]([CH2:40][C:41](=[O:42])[OH:43])[CH2:38][CH2:39]2)[cH:9][n:10]1.[F:47][c:48]1[cH:49][c:50]([CH:54]([CH3:55])[NH2:56])[cH:51][cH:52][cH:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:44][CH2:45][CH3:46])[c:8]([C:11]2=[N:15][C:14]([CH3:16])([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[C:13]([CH3:24])([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[N:12]2[C:32](=[O:33])[N:34]2[CH2:35][CH2:36][CH:37]([CH2:40][C:41](=[O:43])[NH:56][CH:54]([c:50]3[cH:49][c:48]([F:47])[cH:53][cH:52][cH:51]3)[CH3:55])[CH2:38][CH2:39]2)[cH:9][n:10]1