HRID212110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1118

Sulfuric acid

H2O4S

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)(C)OC(=O)NC(=NS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C

HCID3694570

1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine

C12H20F3N3O6S

HCID10290847

2-(4,5-Diamino-1H-pyrazol-1-yl)ethan-1-ol

C5H10N4O

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)Nc1cnn(CCO)c1N

HCID178454305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38a85ee2e5fc48feaaafb6bc293e9a5c
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

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