HRID2152583

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(N3Cc4cc(O)ccc4NC3=O)CC2)C(=O)O)cc1C(F)(F)F

HCID68676157

未命名化合物

PRODUCTS

生成物

结构：Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3Cc4cc(O)ccc4NC3=O)CC2)C(=O)N2CCN(C3CCOCC3)CC2)cc1C(F)(F)F

HCID68673854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97bcf44b3626432e9121b03cbc7da8cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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