HRID170276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID9886

Hexafluorophosphate ion

F6P-

HCID2736677

2-Chloro-3-(trifluoromethyl)benzoic acid

C8H4ClF3O2

HCID4641409

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

C10H15N6O+

HCID86646095

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2cnc(Nc3cc(NC(=O)c4cccc(C(F)(F)F)c4Cl)ccc3C)nc2s1

HCID59506927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6b3b9a41ab94ddd8273ee08b94c5cea
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:61](=[O:62])([O-:63])[OH:64].[Cl:23][c:24]1[c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30][cH:31][c:32]1[C:33]([F:34])([F:35])[F:36].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:22])[c:6]([NH:8][c:9]2[n:10][cH:11][c:12]3[c:13]([n:14]2)[s:15][c:16]([NH:18][C:19]([CH3:20])=[O:21])[n:17]3)[cH:7]1.[Na+:65].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[cH:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1.[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:22])[c:6]([NH:8][c:9]2[n:10][cH:11][c:12]3[c:13]([n:14]2)[s:15][c:16]([NH:18][C:19]([CH3:20])=[O:21])[n:17]3)[cH:7]1)[C:26]([c:25]1[c:24]([Cl:23])[c:32]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:30][cH:29]1)=[O:27]