HRID1222853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6341

Ethanamine

C2H7N

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

HCID23660108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c32d14e59454be09c560a91838cd4dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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