HRID176358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID345198

Platinic oxide

O2Pt

结构：COC(=O)c1c(CN=[N+]=[N-])c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1

HCID71208375

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COC(=O)c1c(CN)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1

HCID71208428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d88428b3f590403ca7d8c762924a51da
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

[CH2:37]1[O:38][CH2:39][CH2:40][O:41][CH2:42]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:7]2[n:8][c:9]([C:20]([F:21])([F:22])[F:23])[cH:10][cH:11][c:12]2[c:13](=[O:19])[c:14]1[CH2:15][N:16]=[N+:17]=[N-:18].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[CH3:43][OH:44].[ClH:30].[Pt:45](=[O:46])=[O:47]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:7]2[n:8][c:9]([C:20]([F:21])([F:22])[F:23])[cH:10][cH:11][c:12]2[c:13](=[O:19])[c:14]1[CH2:15][NH2:16].[ClH:30]