Acetonitrile → HCID 68487138, compound

HRID 159165Notes

Reaction equation

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

Participants

Reactant 7

HCID 6342Acetonitrile

HCID 79724-Methylmorpholine

HCID 81271-Heptanamine

HCID 9886Hexafluorophosphate

HCID 805645Benzoimidazol-1-yl-acetic acid

HCID 1385867Triethylammonium

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

Product 1

HCID 68487138HCID 68487138, compound

Sources & evidence

ORD record: ord-54bc66fa53944e3c9b543601f5f9ad31
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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