Dimethylformamide → HCID 67345211, compound

HRID 1120549Notes

Reaction equation

HRID 1120549 reaction equation
[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[CH:47]1([c:53]2[c:54]3[cH:55][cH:56][c:57]([C:77](=[O:78])[O:79][CH3:80])[cH:58][c:59]3[n:60]3[c:67]2-[c:66]2[c:65]([cH:71][cH:70][cH:69][cH:68]2)[O:64][CH2:63][CH:62]([CH2:72][CH2:73][C:74](=[O:75])[OH:76])[CH2:61]3)[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[N:25]1([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[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>>[N:25]1([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:26][CH2:27][N:28]([C:74]([CH2:73][CH2:72][CH:62]2[CH2:61][n:60]3[c:59]4[c:54]([c:53]([CH:47]5[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]5)[c:67]3-[c:66]3[c:65]([cH:71][cH:70][cH:69][cH:68]3)[O:64][CH2:63]2)[cH:55][cH:56][c:57]([C:77](=[O:78])[O:79][CH3:80])[cH:58]4)=[O:75])[CH2:29][CH2:30]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 143452tert-Butyl piperazine-1-carboxylateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67346138HCID 67346138, compound

Product 1

HCID 67345211HCID 67345211, compound

Sources & evidence

ORD record
ord-ed33186654fd4e5b86598f581a448fe8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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