HRID2347899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2383

Ethanamine, 2-methoxy-N-(2-methoxyethyl)-

C6H15NO2

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)C(CCC(N)=O)N1Cc2c(OCc3ccc(CCl)cc3)cccc2C1=O

HCID67335016

未命名化合物

PRODUCTS

生成物

结构：COCCN(CCOC)Cc1ccc(COc2cccc3c2CN(C(CCC(N)=O)C(=O)OC(C)(C)C)C3=O)cc1

HCID67334741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b96c6135586743c18540cbbd20895db8
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

[CH3:34][O:35][CH2:36][CH2:37][NH:38][CH2:39][CH2:40][O:41][CH3:42].[CH3:52][C:53]#[N:54].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[NH2:1][C:2]([CH2:3][CH2:4][CH:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[N:13]1[C:14](=[O:32])[c:15]2[cH:16][cH:17][cH:18][c:19]([O:22][CH2:23][c:24]3[cH:25][cH:26][c:27]([CH2:30][Cl:31])[cH:28][cH:29]3)[c:20]2[CH2:21]1)=[O:33]>>[NH2:1][C:2]([CH2:3][CH2:4][CH:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[N:13]1[C:14](=[O:32])[c:15]2[cH:16][cH:17][cH:18][c:19]([O:22][CH2:23][c:24]3[cH:25][cH:26][c:27]([CH2:30][N:38]([CH2:37][CH2:36][O:35][CH3:34])[CH2:39][CH2:40][O:41][CH3:42])[cH:28][cH:29]3)[c:20]2[CH2:21]1)=[O:33]