HRID951341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

3 次

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID498716

未命名化合物

HCID59128273

未命名化合物

结构：CCOC(=O)C(C)(C)Oc1cccc(C(=O)NC2CCNCC2)c1

HCID68456399

Ethyl 2-methyl-2-[3-[(4-piperidinylamino)carbonyl]phenoxy]propanoate

C18H26N2O4

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cccc(C(=O)NC2CCN(Cc3cc(OCC)c(F)c(OCC)c3)CC2)c1

HCID68455471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39139bf15958487fa0af1eb8aa9755bc
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:53]([BH3-:54])#[N:55].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([O:7][c:8]1[cH:9][c:10]([C:14]([NH:15][CH:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)=[O:22])[cH:11][cH:12][cH:13]1)[CH3:23])=[O:24].[CH2:25]([CH3:26])[O:27][c:28]1[cH:29][c:30]([CH:31]=[O:32])[cH:33][c:34]([O:37][CH2:38][CH3:39])[c:35]1[F:36].[CH2:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH:45]([CH3:46])[CH3:47])[CH3:48].[CH3:49][C:50](=[O:51])[OH:52].[CH3:63][OH:64].[Na+:56].[Na+:57].[Na+:58].[O-:59][C:60](=[O:61])[O-:62]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([O:7][c:8]1[cH:9][c:10]([C:14]([NH:15][CH:16]2[CH2:17][CH2:18][N:19]([CH2:31][c:30]3[cH:29][c:28]([O:27][CH2:25][CH3:26])[c:35]([F:36])[c:34]([O:37][CH2:38][CH3:39])[cH:33]3)[CH2:20][CH2:21]2)=[O:22])[cH:11][cH:12][cH:13]1)[CH3:23])=[O:24]