HRID2327318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID18374277

未命名化合物

结构：CC(c1ccc(O)cc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F

HCID66697239

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(Oc2ccc(C(C)C(O)(c3ccc4c(c3)N(C)C(=O)CO4)C(F)(F)F)c(Cl)c2)nc1C(F)(F)F

HCID72310124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80da343ced584542a390f60a1faa5bc9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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