HRID1121943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21942315

1-(Oxan-4-yl)piperazine

C9H18N2O

结构：Nc1c(Cl)cc(CC(CC(=O)N2CCC(n3c(=O)[nH]c4c5ccccc5ncc43)CC2)C(=O)O)cc1C(F)(F)F

HCID68590753

未命名化合物

PRODUCTS

生成物

结构：Nc1c(Cl)cc(CC(CC(=O)N2CCC(n3c(=O)[nH]c4c5ccccc5ncc43)CC2)C(=O)N2CCN(C3CCOCC3)CC2)cc1C(F)(F)F

HCID68675225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da798504e4b9464fa1ddfd0c11e00389
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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