Dimethylformamide → HCID 59451347, compound

HRID 2349150Notes

Reaction equation

HRID 2349150 reaction equation
[CH3:45][C:46]([CH3:47])([CH3:48])[O:49][C:50](=[O:51])[NH:52][c:53]1[cH:54][cH:55][cH:56][c:57]2[cH:58][c:59]([C:62](=[O:63])[OH:64])[nH:60][c:61]12.[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[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:74]=[CH:75][N:76]([CH3:77])[CH3:78].[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:62]([c:59]1[cH:58][c:57]2[cH:56][cH:55][cH:54][c:53]([NH:52][C:50]([O:49][C:46]([CH3:45])([CH3:47])[CH3:48])=[O:51])[c:61]2[nH:60]1)=[O:63]

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 57901795HCID 57901795, compoundHCID 594513923-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-chlorobenzonitrile

Product 1

HCID 59451347HCID 59451347, compound

Sources & evidence

ORD record
ord-13eb3c83308c4d8cb7837bbbc229da0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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