HRID2156537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID27282445

3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde

C12H12N2O2

HCID86602480

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=C(CCCCl)C(=O)OC(C)(C)C)ccc1-n1cnc(C)c1

HCID66961131

1,1-Dimethylethyl 5-chloro-2-[[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]methylene]pentanoate

C21H27ClN2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34487b00f364488ab33d8f4c4707c777
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

[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([CH:23]([CH2:24][CH2:25][CH2:26][Cl:27])[P:28]([O:29][CH2:30][CH3:31])([O:32][CH2:33][CH3:34])=[O:35])=[O:36].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9][c:10]1-[n:11]1[cH:12][n:13][c:14]([CH3:16])[cH:15]1.[CH3:46][CH2:47][OH:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Li+:39].[OH-:38].[OH2:37].[OH2:40]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:6]=[C:23]([C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:36])[CH2:24][CH2:25][CH2:26][Cl:27])[cH:8][cH:9][c:10]1-[n:11]1[cH:12][n:13][c:14]([CH3:16])[cH:15]1