HRID169586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID81531

Diisopropylethylamine

C8H19N

HCID498716

未命名化合物

HCID53486013

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(-n4cccc4)c(OCC)c3)CC2)c1

HCID68457152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09d09247b6b3481e82f4bce09f644232
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:44]([BH3-:45])#[N:46].[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:41][CH2:42][CH3:43])[c:35]1-[n:36]1[cH:37][cH:38][cH:39][cH:40]1.[CH2:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH:53]([CH3:54])[CH3:55])[CH3:56].[CH3:57][CH2:58][OH:59].[CH3:60][C:61](=[O:62])[OH:63].[Na+:47]>>[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](-[n:36]4[cH:37][cH:38][cH:39][cH:40]4)[c:34]([O:41][CH2:42][CH3:43])[cH:33]3)[CH2:20][CH2:21]2)=[O:22])[cH:11][cH:12][cH:13]1)[CH3:23])=[O:24]