HRID2147990

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-

HCID4641409

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

C10H15N6O+

HCID86227414

未命名化合物

结构：CC(=O)Nc1nc2cnc(Nc3cc(N)c(F)cc3Cl)nc2s1

HCID86646101

未命名化合物

PRODUCTS

生成物

结构：C#CC(C)(C)c1cccc(C(=O)Nc2cc(Nc3ncc4nc(NC(C)=O)sc4n3)c(Cl)cc2F)c1

HCID59507001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f415330a35534c3e910f165818cbb841
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

[C:62](=[O:63])([O-:64])[OH:65].[CH3:24][C:25]([C:26]#[CH:27])([CH3:28])[c:29]1[cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36][cH:37]1.[NH2:1][c:2]1[c:3]([F:23])[cH:4][c:5]([Cl: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+:66].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[cH:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1.[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[NH:1]([c:2]1[c:3]([F:23])[cH:4][c:5]([Cl: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:32]([c:31]1[cH:30][c:29]([C:25]([CH3:24])([C:26]#[CH:27])[CH3:28])[cH:37][cH:36][cH:35]1)=[O:33]