HRID146421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID7918

Acetic anhydride

C4H6O3

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：C=CC(O)c1[nH]c(=O)c2c(ccc3nc(Nc4ccc(F)cc4C)n(C)c32)c1C

HCID66832884

未命名化合物

PRODUCTS

生成物

结构：C=CC(OC(C)=O)c1[nH]c(=O)c2c(ccc3nc(Nc4ccc(F)cc4C)n(C)c32)c1C

HCID66832334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dae1c942eda14e11845d28dbd9fbbe39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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