HRID109147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1032

未命名化合物

HCID9886

Hexafluorophosphate ion

F6P-

HCID31374

Dimethylacetamide

C4H9NO

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)COc1ccccc1-c1cc(-c2ccc3[nH]nc(N)c3c2)nc(=O)[nH]1

HCID25121372

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)Nc1n[nH]c2ccc(-c3cc(-c4ccccc4OCC(C)C)[nH]c(=O)n3)cc12

HCID25119282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3ae199bdfe54cf087cd184bf99694f8
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

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