Acetonitrile → HCID 86655236, compound

HRID 122618Notes

Reaction equation

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

Participants

Reactant 6

HCID 6342Acetonitrile

HCID 9886Hexafluorophosphate

HCID 81531Diisopropylethylamine

HCID 239041Propargylamine

HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

HCID 65345839HCID 65345839, compound

Product 1

HCID 86655236HCID 86655236, compound

Sources & evidence

ORD record: ord-9909c51658ec4de182b1c058c69dcda9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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