Acetic Acid → HCID 11538020, compound

HRID 2328511Notes

Reaction equation

HRID 2328511 reaction equation
[CH3:51][C:52]([OH:53])=[O:54].[ClH:1].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1.[nH:2]1[n:3][cH:4][c:5]2[cH:6][c:7]([NH:11][c:12]3[c:13]4[c:14]([n:15][cH:16][n:17]3)[nH:18][c:19]([C:21]3=[CH:26][CH2:25][NH:24][CH2:23][CH2:22]3)[cH:20]4)[cH:8][cH:9][c:10]12>>[nH:2]1[n:3][cH:4][c:5]2[cH:6][c:7]([NH:11][c:12]3[c:13]4[c:14]([n:15][cH:16][n:17]3)[nH:18][c:19]([C:21]3=[CH:26][CH2:25][N:24]([C:52]([CH3:51])=[O:53])[CH2:23][CH2:22]3)[cH:20]4)[cH:8][cH:9][c:10]12

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 11508914HCID 11508914, compound

Product 1

HCID 11538020HCID 11538020, compound

Sources & evidence

ORD record
ord-93a46f4d5f844ca1bfb31a7d6bf74016
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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