Dimethylformamide → HCID 50898457, compound

HRID 1208408Notes

Reaction equation

HRID 1208408 reaction equation
[CH2:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH:63]([CH3:64])[CH3:65])[CH3:66].[CH3:67][N:68]([CH2:69][CH2:70][NH2:71])[CH3:72].[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[Cl:1][c:2]1[c:3]([NH:10][c:11]2[c:12]([NH:21][S:22](=[O:23])(=[O:24])[c:25]3[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][cH:33]3)[n:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[n:20]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[Cl:1][c:2]1[c:3]([NH:10][c:11]2[c:12]([NH:21][S:22](=[O:23])(=[O:24])[c:25]3[cH:26][c:27]([C:28](=[O:30])[NH:71][CH2:70][CH2:69][N:68]([CH3:67])[CH3:72])[cH:31][cH:32][cH:33]3)[n:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[n:20]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 66053N,N-DimethylethylenediamineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59249031HCID 59249031, compound

Product 1

HCID 50898457HCID 50898457, compound

Sources & evidence

ORD record
ord-de241c891b224d879ac39f3ea77627d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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