Acetonitrile → HCID 57771772, compound

HRID 2130232Notes

Reaction equation

HRID 2130232 reaction equation
[CH3:1][N:2]([c:3]1[o:4][c:5]2[c:6]([n:7]1)[cH:8][c:9]([NH2:12])[cH:10][cH:11]2)[CH:13]1[CH2:14][CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]1.[CH3:54][N:55]([c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1)[CH3:62].[CH3:63][C:64]#[N:65].[Cl:20][c:21]1[n:22][cH:23][c:24]([C:27](=[O:28])[OH:29])[n:25][cH:26]1.[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH3:1][N:2]([c:3]1[o:4][c:5]2[c:6]([n:7]1)[cH:8][c:9]([NH:12][C:27]([c:24]1[cH:23][n:22][c:21]([Cl:20])[cH:26][n:25]1)=[O:28])[cH:10][cH:11]2)[CH:13]1[CH2:14][CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 142844-(Dimethylamino)pyridineHCID 4654725-Chloropyrazinoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59558009N2-Methyl-N2-(1-methyl-piperidin-4-yl)-benzooxazole-2,5-diamine

Product 1

HCID 57771772HCID 57771772, compound

Sources & evidence

ORD record
ord-8dbc8fb48a8d4493b2892c13ca7d44a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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