HRID2138348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

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：Cc1cc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)O

HCID86685450

未命名化合物

HCID86685452

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCc1ccc2c(c1)C(C)(C)OB2O

HCID71575880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6704a0378ff6415ca94b8941da40cca7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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