HRID670365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1088

N-Methylglycine

C3H7NO2

HCID6342

Acetonitrile

C2H3N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：CCCn1c(=O)c2[nH]c(C34CCC(C(=O)O)(CC3)CC4)nc2n(CCC)c1=O

HCID9886589

未命名化合物

PRODUCTS

生成物

结构：CCCn1c(=O)c2[nH]c(C34CCC(C(=O)N(C)CC(=O)O)(CC3)CC4)nc2n(CCC)c1=O

HCID18767679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61ab42f2a36e4231ac6b06e36d882186
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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