HRID215428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7852

Propylamine

C3H9N

HCID9886

Hexafluorophosphate ion

F6P-

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：CCCNC(=O)c1cnn(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCOCC2)c1

HCID23660830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fb831ac04264be889e50edf7003d9ee
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:38]([CH3:39])([CH3:40])([CH3:41])[c:42]1[n:43][c:44]2[c:45]([n:46]1[CH2:47][CH:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1)[cH:54][cH:55][c:56]([S:58](=[O:59])(=[O:60])[n:61]1[n:62][cH:63][c:64]([C:66](=[O:67])[OH:68])[cH:65]1)[cH:57]2.[CH2:1]([CH2:2][CH3:3])[NH2:4].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:5]([F:6])([F:7])([F:8])([F:9])([F:10])[F:11].[n:12]1([O:13][C:14]([N:15]([CH3:16])[CH3:17])=[N+:18]([CH3:19])[CH3:20])[c:21]2[n:22][cH:23][cH:24][cH:25][c:26]2[n:27][n:28]1>>[CH2:1]([CH2:2][CH3:3])[NH:4][C:66]([c:64]1[cH:63][n:62][n:61]([S:58]([c:56]2[cH:55][cH:54][c:45]3[c:44]([n:43][c:42]([C:38]([CH3:39])([CH3:40])[CH3:41])[n:46]3[CH2:47][CH:48]3[CH2:49][CH2:50][O:51][CH2:52][CH2:53]3)[cH:57]2)(=[O:59])=[O:60])[cH:65]1)=[O:67]