HRID154130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

结构：CC(OC(C)(C)C)C(NC(=O)OC(C)(C)C)C(=O)O

HCID499095

未命名化合物

HCID4641409

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

C10H15N6O+

HCID56965659

未命名化合物

PRODUCTS

生成物

结构：CC(OC(C)(C)C)C(NC(=O)OC(C)(C)C)C(=O)NC1(c2ncccn2)CC1

HCID178467785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aef58f0539a2450f938f8258f39026d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH:6]([CH:7]([C:8](=[O:9])[OH:10])[NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH3:19].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[ClH:51].[ClH:52].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:68].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1.[n:53]1[c:54]([C:59]2([NH2:62])[CH2:60][CH2:61]2)[n:55][cH:56][cH:57][cH:58]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH:6]([CH:7]([C:8](=[O:10])[NH:62][C:59]1([c:54]2[n:53][cH:58][cH:57][cH:56][n:55]2)[CH2:60][CH2:61]1)[NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH3:19]