Acetone → HCID 59451475, compound

HRID 1226567Notes

Reaction equation

HRID 1226567 reaction equation
[Br:34][c:35]1[c:36]([C:48](=[O:49])[OH:50])[nH:37][c:38]2[cH:39][c:40]([O:44][CH2:45][CH2:46][OH:47])[cH:41][cH:42][c:43]12.[CH3:76][C:77](=[O:78])[CH3:79].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[NH2:51][CH2:52][c:53]1[c:54]([F:70])[c:55]([O:60][c:61]2[cH:62][c:63]([C:64]#[N:65])[cH:66][c:67]([Cl:69])[cH:68]2)[c:56]([Cl:59])[cH:57][cH:58]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[Br:34][c:35]1[c:36]([C:48](=[O:50])[NH:51][CH2:52][c:53]2[c:54]([F:70])[c:55]([O:60][c:61]3[cH:62][c:63]([C:64]#[N:65])[cH:66][c:67]([Cl:69])[cH:68]3)[c:56]([Cl:59])[cH:57][cH:58]2)[nH:37][c:38]2[cH:39][c:40]([O:44][CH2:45][CH2:46][OH:47])[cH:41][cH:42][c:43]12

Participants

8

Reactant 7

HCID 180AcetoneHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 594513923-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-chlorobenzonitrileHCID 59451578HCID 59451578, compound

Product 1

HCID 59451475HCID 59451475, compound

Sources & evidence

ORD record
ord-49255d6b74134d09806ae1d3458d1895
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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