Chloride → HCID 145475376, compound

HRID 321838Notes

Reaction equation

HRID 321838 reaction equation
[C:56](#[N:57])[CH2:58][C:59](=[O:60])[OH:61].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[Cl-:1].[F:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([NH:16][CH:17]3[CH2:18][NH2+:19][CH2:20][CH2:21][CH2:22]3)[n:8][c:9]3[cH:10][cH:11][nH:12][c:13](=[O:15])[c:14]23)[cH:23][cH:24]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[F:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([NH:16][CH:17]3[CH2:18][N:19]([C:59]([CH2:58][C:56]#[N:57])=[O:60])[CH2:20][CH2:21][CH2:22]3)[n:8][c:9]3[cH:10][cH:11][nH:12][c:13](=[O:15])[c:14]23)[cH:23][cH:24]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9740Cyanoacetic acidHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178518689HCID 178518689, compound

Product 1

HCID 145475376HCID 145475376, compound

Sources & evidence

ORD record
ord-09fac34fb0444c3d808cf3a9c7acf605
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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