Acetonitrile → HCID 58033033, compound

HRID 2145542Notes

Reaction equation

HRID 2145542 reaction equation
[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][c:10]1[cH:11][n:12][c:13]([NH2:15])[s:14]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:59][C:60]#[N:61].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[c:16]1([CH:22]([C:23](=[O:24])[OH:25])[CH2:26][CH3:27])[cH:17][cH:18][cH:19][cH:20][cH:21]1.[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][c:10]1[cH:11][n:12][c:13]([NH:15][C:23]([CH:22]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:26][CH3:27])=[O:24])[s:14]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 70122-Phenylbutyric AcidHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 60027522HCID 60027522, compound

Product 1

HCID 58033033HCID 58033033, compound

Sources & evidence

ORD record
ord-56d869f09b904e59bf7bed52b08e403f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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