Dimethylformamide → HCID 178437659, compound

HRID 171453Notes

Reaction equation

HRID 171453 reaction equation
[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH2:64][CH3:65])([CH3:66])[CH3:67].[Cl:24][c:25]1[n:26][c:27]([CH2:33][CH3:34])[nH:28][c:29]1[C:30](=[O:31])[OH:32].[NH2:1][CH2:2][c:3]1[c:4]([F:23])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[NH:1]([CH2:2][c:3]1[c:4]([F:23])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1)[C:30]([c:29]1[c:25]([Cl:24])[n:26][c:27]([CH2:33][CH3:34])[nH:28]1)=[O:31]

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 684835233-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-(trifluoromethyl)benzonitrileHCID 178437661HCID 178437661, compound

Product 1

HCID 178437659HCID 178437659, compound

Sources & evidence

ORD record
ord-d2af3b53d80545feaafa74121eb98583
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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