Acetone → HCID 59451384, compound

HRID 1212082Notes

Reaction equation

HRID 1212082 reaction equation
[CH3:70][C:71](=[O:72])[CH3:73].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:25][c:26]1[c:27]([C:33](=[O:34])[OH:35])[nH:28][c:29]([CH:31]=[O:32])[cH:30]1.[NH2:36][CH2:37][c:38]1[c:39]([F:55])[c:40]([O:45][c:46]2[cH:47][c:48]([C:49]#[N:50])[cH:51][c:52]([Cl:54])[cH:53]2)[c:41]([Cl:44])[cH:42][cH:43]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[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>>[Cl:25][c:26]1[c:27]([C:33](=[O:35])[NH:36][CH2:37][c:38]2[c:39]([F:55])[c:40]([O:45][c:46]3[cH:47][c:48]([C:49]#[N:50])[cH:51][c:52]([Cl:54])[cH:53]3)[c:41]([Cl:44])[cH:42][cH:43]2)[nH:28][c:29]([CH:31]=[O:32])[cH:30]1

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 866449023-Chloro-5-formyl-1H-pyrrole-2-carboxylic acid

Product 1

HCID 59451384HCID 59451384, compound

Sources & evidence

ORD record
ord-b93e74f91f6c4bf79817c0987f5a67aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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