Ammonia → 2-(Ethyl-methyl-amino)-6-methyl-isonicotinonitrile

HRID 1570410Notes

Reaction equation

HRID 1570410 reaction equation
[CH2:1]([CH3:2])[N:3]([c:4]1[cH:5][c:6]([C:7]([OH:8])=[O:9])[cH:10][c:11]([CH3:13])[n:12]1)[CH3:14].[CH:15]([N:18]([CH2:16][CH3:17])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[Cl:88][CH2:89][Cl:90].[F:64][C:65]([F:66])([F:67])[C:68]([O:69][C:70](=[O:71])[C:72]([F:73])([F:74])[F:75])=[O:76].[NH3:57].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[O:82]1[CH2:83][CH2:84][O:85][CH2:86][CH2:87]1.[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[cH:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1.[n:31]1([O:32][P+:33]([N:34]2[CH2:35][CH2:36][CH2:37][CH2:38]2)([N:39]2[CH2:40][CH2:41][CH2:42][CH2:43]2)[N:44]2[CH2:45][CH2:46][CH2:47][CH2:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH2:1]([CH3:2])[N:3]([c:4]1[cH:5][c:6]([C:7]#[N:18])[cH:10][c:11]([CH3:13])[n:12]1)[CH3:14]

Participants

11

Reactant 10

HCID 222AmmoniaHCID 1049PyridineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9845Trifluoroacetic anhydrideHCID 9886HexafluorophosphateHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 584180642-(Ethyl-methyl-amino)-6-methyl-isonicotinic acid

Product 1

HCID 685793492-(Ethyl-methyl-amino)-6-methyl-isonicotinonitrile

Sources & evidence

ORD record
ord-9df31d27d44c418584a06f60b6af9489
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…