Acetonitrile → HCID 68707756, compound

HRID 2350749Notes

Reaction equation

HRID 2350749 reaction equation
[CH3:74][C:75]#[N:76].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:33])[O:10][CH:11]([CH2:24][n:25]3[n:26][n:27][c:28]([C:30](=[O:31])[OH:32])[cH:29]3)[CH:12]2[c:13]2[cH:14][c:15]([F:23])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)[cH:6][cH:7]1.[NH2:67][N:68]1[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]1.[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:33])[O:10][CH:11]([CH2:24][n:25]3[n:26][n:27][c:28]([C:30](=[O:32])[NH:67][N:68]4[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]4)[cH:29]3)[CH:12]2[c:13]2[cH:14][c:15]([F:23])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 166581-AminopiperidineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68707217HCID 68707217, compound

Product 1

HCID 68707756HCID 68707756, compound

Sources & evidence

ORD record
ord-f9857ce873c94baabd6d652b2df92f3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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