Acetonitrile → HCID 58033009, compound

HRID 101759Notes

Reaction equation

HRID 101759 reaction equation
[Br:15][CH:16]([C:17](=[O:18])[OH:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:57][C:58]#[N:59].[Cl:1][c:2]1[c:3]([CH2:4][c:5]2[cH:6][n:7][c:8]([NH2:10])[s:9]2)[cH:11][cH:12][cH:13][cH:14]1.[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[Cl:1][c:2]1[c:3]([CH2:4][c:5]2[cH:6][n:7][c:8]([NH:10][C:17]([CH:16]([Br:15])[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)=[O:18])[s:9]2)[cH:11][cH:12][cH:13][cH:14]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 97919Bromo(phenyl)acetic acidHCID 7277455-(2-Chloro-benzyl)-thiazol-2-ylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 58033009HCID 58033009, compound

Sources & evidence

ORD record
ord-864de0ddc3264490aeffd2a6df0a6a0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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