HRID2128395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID73014041

Benzaldehyde, 3-ethoxy-4-(4-methyl-1H-imidazol-1-yl)-

C13H14N2O2

HCID86602465

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C=CC(=O)NC2CCc3ccccc32)ccc1-n1cnc(C)c1

HCID66960766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12a251ed3d7d4c95a29afae2851eb787
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

[CH2:1]1[O:2][CH2:3][CH2:4][CH2:5]1.[CH2:23]([O:24][P:25](=[O:26])([O:27][CH2:28][CH3:29])[CH2:31][C:32]([NH:33][CH:34]1[CH2:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]21)=[O:43])[CH3:30].[CH2:6]([CH3:7])[O:8][c:9]1[cH:10][c:11]([CH:12]=[O:13])[cH:14][cH:15][c:16]1-[n:17]1[cH:18][n:19][c:20]([CH3:22])[cH:21]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Li+:46].[OH-:45].[OH2:44].[OH2:53]>>[CH2:6]([CH3:7])[O:8][c:9]1[cH:10][c:11]([CH:12]=[CH:31][C:32]([NH:33][CH:34]2[CH2:35][CH2:36][c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]32)=[O:43])[cH:14][cH:15][c:16]1-[n:17]1[cH:18][n:19][c:20]([CH3:22])[cH:21]1