HRID288427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID166653

Hydride

H-

HCID1514283

Methyl 2-hydroxy-3-pyrazinecarboxylate

C6H6N2O3

结构：CC(=O)OC1C=CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1

HCID15674817

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1nccn(C2C=CC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C2)c1=O

HCID22662838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6e025aa8b4543a7b667f44f8ea6a0b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:14]([O:15][CH:18]1[CH:19]=[CH:20][CH:21]([CH2:23][O:24][C:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[CH2:22]1)(=[O:16])[CH3:17].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[ClH:63].[H-:12].[Na+:13].[O:1]=[c:2]1[c:3]([C:8](=[O:9])[O:10][CH3:11])[n:4][cH:5][cH:6][nH:7]1.[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[OH2:80].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[O:1]=[c:2]1[c:3]([C:8](=[O:9])[O:10][CH3:11])[n:4][cH:5][cH:6][n:7]1[CH:18]1[CH:19]=[CH:20][CH:21]([CH2:23][O:24][C:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[CH2:22]1