Dimethylformamide → HCID 59451479, compound

HRID 2330000Notes

Reaction equation

HRID 2330000 reaction equation
[C:45]([CH3:46])(=[O:47])[c:48]1[cH:49][c:50]([Cl:56])[c:51]([C:53](=[O:54])[OH:55])[nH:52]1.[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[NH2:25][CH2:26][c:27]1[c:28]([F:44])[c:29]([O:34][c:35]2[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([Cl:43])[cH:42]2)[c:30]([Cl:33])[cH:31][cH:32]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[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>>[NH:25]([CH2:26][c:27]1[c:28]([F:44])[c:29]([O:34][c:35]2[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([Cl:43])[cH:42]2)[c:30]([Cl:33])[cH:31][cH:32]1)[C:53]([c:51]1[c:50]([Cl:56])[cH:49][c:48]([C:45]([CH3:46])=[O:47])[nH:52]1)=[O:54]

Participants

7

Reactant 6

HCID 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 68483231HCID 68483231, compound

Product 1

HCID 59451479HCID 59451479, compound

Sources & evidence

ORD record
ord-f71e153e896e4cf98030117f07bfee32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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