Dimethylformamide → HCID 57447918, compound

HRID 1554702Notes

Reaction equation

HRID 1554702 reaction equation
[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40]([CH:41]([CH:42]([CH2:43][CH2:44][c:45]1[cH:46][c:47]([C:48](=[O:49])[OH:50])[cH:51][cH:52][cH:53]1)[S:54][CH2:55][c:56]1[cH:57][cH:58][c:59]([O:62][CH3:63])[cH:60][cH:61]1)[CH2:64][c:65]1[cH:66][n:67][c:68]([NH:71][C:72](=[O:73])[O:74][C:75]([CH3:76])([CH3:77])[CH3:78])[cH:69][cH:70]1)=[O:79].[CH3:1][NH:2][CH2:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[CH3:1][N:2]([CH2:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[C:48]([c:47]1[cH:46][c:45]([CH2:44][CH2:43][CH:42]([CH:41]([C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:79])[CH2:64][c:65]2[cH:66][n:67][c:68]([NH:71][C:72](=[O:73])[O:74][C:75]([CH3:76])([CH3:77])[CH3:78])[cH:69][cH:70]2)[S:54][CH2:55][c:56]2[cH:57][cH:58][c:59]([O:62][CH3:63])[cH:60][cH:61]2)[cH:53][cH:52][cH:51]1)=[O:50]

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 11503N-MethylbenzeneethanamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 69072340HCID 69072340, compound

Product 1

HCID 57447918HCID 57447918, compound

Sources & evidence

ORD record
ord-53ab33a1d68944e2aa1ba8e9895b2833
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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