Acetonitrile → HCID 44227500, compound

HRID 2336160Notes

Reaction equation

HRID 2336160 reaction equation
[CH3:62][C:63]#[N:64].[CH:14]([N:15]([CH2:16][CH3:17])[CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22].[F:23][C:24]([CH2:25][N:26]1[CH2:27][CH2:28][NH:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH:35]12)([F:36])[F:37].[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.[nH:1]1[n:2][cH:3][c:4](-[c:6]2[cH:7][c:8]([C:11](=[O:12])[OH:13])[cH:9][s:10]2)[cH:5]1>>[n:1]1[nH:2][cH:3][c:4](-[c:6]2[cH:7][c:8]([C:11](=[O:13])[N:29]3[CH2:28][CH2:27][N:26]([CH2:25][C:24]([F:23])([F:36])[F:37])[CH:35]4[CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:9][s:10]2)[cH:5]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 581101935-(1H-Pyrazol-4-YL)thiophene-3-carboxylic acidHCID 58110330HCID 58110330, compound

Product 1

HCID 44227500HCID 44227500, compound

Sources & evidence

ORD record
ord-b4a9433ad6cd4628a8c3a3566433bd2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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