Pyridine → HCID 59454502, compound

HRID 693425Notes

Reaction equation

HRID 693425 reaction equation
[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[F:24][C:25]([c:26]1[cH:27][c:28]([CH2:32][C:33](=[O:34])[OH:35])[cH:29][cH:30][cH:31]1)([F:36])[F:37].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7]([C:19]#[N:20])[c:8]3[c:9]([n:10][c:11]([NH:13][C:14]([CH3:15])=[O:16])[s:12]3)[cH:17][cH:18]2)[cH:21][cH:22][cH:23]1.[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[cH:62]1[cH:63][cH:64][n:65][cH:66][cH:67]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[cH:3][c:4]([O:5][c:6]2[c:7]([C:19]#[N:20])[c:8]3[c:9]([n:10][c:11]([NH:13][C:14]([CH3:15])=[O:16])[s:12]3)[cH:17][cH:18]2)[cH:21][cH:22][cH:23]1)[C:33]([CH2:32][c:28]1[cH:27][c:26]([C:25]([F:24])([F:36])[F:37])[cH:31][cH:30][cH:29]1)=[O:34]

Participants

7

Reactant 6

HCID 1049PyridineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 676953-(Trifluoromethyl)benzeneacetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 86644686N-[6-(3-aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]acetamide

Product 1

HCID 59454502HCID 59454502, compound

Sources & evidence

ORD record
ord-fbca8934c5184dcea8862e0e9fa2794f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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