HRID210265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75645

Cyclobutanamine

C4H9N

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：CC(C)(C)c1nc2cc(S(=O)(=O)n3cc(C(=O)O)cn3)ccc2n1CC1CCOCC1

HCID57937295

1-[[2-(1,1-Dimethylethyl)-1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-benzimidazol-5-yl]sulfonyl]-1H-pyrazole-4-carboxylic acid

C21H26N4O5S

PRODUCTS

生成物

结构：CC(C)(C)c1nc2cc(S(=O)(=O)n3cc(C(=O)NC4CCC4)cn3)ccc2n1CC1CCOCC1

HCID23660107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67f5d91f9a644f77a3748cda93ccee7b
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:15]([CH3:16])([CH3:17])([CH3:18])[c:19]1[n:20][c:21]2[c:22]([n:23]1[CH2:24][CH:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1)[cH:31][cH:32][c:33]([S:35](=[O:36])(=[O:37])[n:38]1[n:39][cH:40][c:41]([C:43](=[O:44])[OH:45])[cH:42]1)[cH:34]2.[CH:1]1([NH2:5])[CH2:2][CH2:3][CH2:4]1.[CH:6]([N:7]([CH2:8][CH3:9])[CH:10]([CH3:11])[CH3:12])([CH3:13])[CH3:14].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[CH:1]1([NH:5][C:43]([c:41]2[cH:40][n:39][n:38]([S:35]([c:33]3[cH:32][cH:31][c:22]4[c:21]([n:20][c:19]([C:15]([CH3:16])([CH3:17])[CH3:18])[n:23]4[CH2:24][CH:25]4[CH2:26][CH2:27][O:28][CH2:29][CH2:30]4)[cH:34]3)(=[O:36])=[O:37])[cH:42]2)=[O:44])[CH2:2][CH2:3][CH2:4]1