HRID1222460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID31275

1,4-Dioxane

C4H8O2

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)Oc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc1

HCID16641226

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(CC(NC(=O)OC(C)(C)C)C(N)=O)cc1

HCID67542254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6e87c7769114619b53d952179956d1c
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:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][CH:33]([C:34](=[O:35])[OH:36])[CH2:37][c:38]1[cH:39][cH:40][c:41]([O:44][CH:45]([CH3:46])[CH3:47])[cH:42][cH:43]1.[CH2:58]1[O:59][CH2:60][CH2:61][O:62][CH2:63]1.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH3:8][N+:9]([CH3:10])=[C:11]([N:12]([CH3:13])[CH3:14])[O:15][n:16]1[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1.[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[NH3:57].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7]>>[NH2:9][C:34]([CH:33]([NH:32][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:37][c:38]1[cH:39][cH:40][c:41]([O:44][CH:45]([CH3:46])[CH3:47])[cH:42][cH:43]1)=[O:35]