HRID681963

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2775651

2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic Acid

C6H4F3NO3

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1N

HCID57749401

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2C)c(C(F)(F)F)o1

HCID57749232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b64a7775c3154cd19ca8ad44b3552954
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][c:2]1[o:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:7](=[O:8])[OH:9])[n:6]1.[CH3:56][OH:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:14][C:15]([C:16]([Cl:17])=[O:18])=[O:19].[NH2:20][c:21]1[cH:22][c:23]([O:24][c:25]2[cH:26][cH:27][c:28]3[n:29]([cH:30]2)[n:31][c:32]([NH:34][C:35](=[O:36])[CH:37]2[CH2:38][CH2:39]2)[n:33]3)[cH:40][cH:41][c:42]1[CH3:43].[Na+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH2:55]>>[CH3:1][c:2]1[o:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:7](=[O:9])[NH:20][c:21]2[cH:22][c:23]([O:24][c:25]3[cH:26][cH:27][c:28]4[n:29]([cH:30]3)[n:31][c:32]([NH:34][C:35](=[O:36])[CH:37]3[CH2:38][CH2:39]3)[n:33]4)[cH:40][cH:41][c:42]2[CH3:43])[n:6]1