HRID92016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2776375

2-isocyanatothiophene

C5H3NOS

HCID59830422

未命名化合物

PRODUCTS

产物

HCID11404921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-10961060807b49749788723ad9e3c982
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

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