HRID182209

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

结构：CCOP(=O)(OCC)C1CCC2COCC(c3ccc(Cl)cc3)N2C1=O

HCID178476951

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=C2CCC3COCC(c4ccc(Cl)cc4)N3C2=O)ccc1-n1cnc(C)c1

HCID178488502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63c4730500f84847a4267bbba9c5b455
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:30][O:31][c:32]1[cH:33][c:34]([CH:35]=[O:36])[cH:37][cH:38][c:39]1-[n:40]1[cH:41][n:42][c:43]([CH3:45])[cH:44]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:57][CH2:58][OH:59].[Cl:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[N:12]3[CH:13]([CH2:14][O:15][CH2:16]2)[CH2:17][CH2:18][CH:19]([P:22](=[O:23])([O:24][CH2:25][CH3:26])[O:27][CH2:28][CH3:29])[C:20]3=[O:21])[cH:9][cH:10]1.[Li+:3].[OH-:2].[OH2:1].[OH2:60]>>[Cl:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[N:12]3[CH:13]([CH2:14][O:15][CH2:16]2)[CH2:17][CH2:18][C:19](=[CH:35][c:34]2[cH:33][c:32]([O:31][CH3:30])[c:39](-[n:40]4[cH:41][n:42][c:43]([CH3:45])[cH:44]4)[cH:38][cH:37]2)[C:20]3=[O:21])[cH:9][cH:10]1