HRID1126327

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-

HCID66096

3-(Trifluoromethoxy)benzoic acid

C8H5F3O3

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(OC(F)(F)F)c4)ccc3C)nc2s1

HCID59507018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98b815163aca47ef90b25d5bfe82df90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:61](=[O:62])([O-:63])[OH:64].[F:23][C:24]([O:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33][cH:34]1)([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:29]([c:28]1[cH:27][c:26]([O:25][C:24]([F:23])([F:35])[F:36])[cH:34][cH:33][cH:32]1)=[O:30]