Pyridine → N-{7-cyano-6-[3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide

HRID 180714Notes

Reaction equation

HRID 180714 reaction equation
[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[F:26][C:27]([c:28]1[cH:29][c:30]([CH2:34][C:35](=[O:36])[OH:37])[cH:31][cH:32][cH:33]1)([F:38])[F:39].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7]([C:21]#[N:22])[c:8]3[c:9]([n:10][c:11]([NH:13][C:14](=[O:15])[CH:16]4[CH2:17][CH2:18]4)[s:12]3)[cH:19][cH:20]2)[cH:23][cH:24][cH:25]1.[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[cH:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1.[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[c:7]([C:21]#[N:22])[c:8]3[c:9]([n:10][c:11]([NH:13][C:14](=[O:15])[CH:16]4[CH2:17][CH2:18]4)[s:12]3)[cH:19][cH:20]2)[cH:23][cH:24][cH:25]1)[C:35]([CH2:34][c:30]1[cH:29][c:28]([C:27]([F:26])([F:38])[F:39])[cH:33][cH:32][cH:31]1)=[O:36]

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 86644685N-[6-(3-aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

Product 1

HCID 46222581N-{7-cyano-6-[3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide

Sources & evidence

ORD record
ord-6d7172a8753048a8a46f3a90807361af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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