Ammonium → HCID 58551319, compound

HRID 2134787Notes

Reaction equation

HRID 2134787 reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[O:14][C:15](=[O:16])[N:17]1[CH2:18][CH2:19][C:20]2([CH2:21][CH2:22]1)[O:23][c:24]1[c:25]([cH:31][cH:32][c:33]([C:35](=[O:36])[OH:37])[cH:34]1)-[n:26]1[c:27]2[cH:28][cH:29][cH:30]1.[CH3:3][CH2:4][N:5]([CH2:6][CH3:7])[CH2:8][CH3:9].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[Cl-:1].[NH4+:2].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[NH2:5][C:35]([c:33]1[cH:32][cH:31][c:25]2[c:24]([cH:34]1)[O:23][C:20]1([CH2:19][CH2:18][N:17]([C:15]([O:14][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:16])[CH2:22][CH2:21]1)[c:27]1[n:26]-2[cH:30][cH:29][cH:28]1)=[O:36]

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58550886HCID 58550886, compound

Product 1

HCID 58551319HCID 58551319, compound

Sources & evidence

ORD record
ord-90d9260ef2d048288c7934faf0436133
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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