HRID94840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID31374

Dimethylacetamide

C4H9NO

HCID2795465

2,5-dimethyl-1,3-oxazole-4-carboxylic acid

C6H7NO3

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)o1

HCID57749120

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d98070ae21e84262991b6083e3cb20d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][c:2]1[o:3][c:4]([CH3:10])[c:5]([C:7](=[O:8])[OH:9])[n:6]1.[CH3:44][N:45]([CH3:46])[C:47](=[O:48])[CH3:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[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].[O:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1.[S:16]([Cl:17])([Cl:18])=[O:19]>>[CH3:1][c:2]1[o:3][c:4]([CH3:10])[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