Acetonitrile → HCID 57884141, compound

HRID 2135533Notes

Reaction equation

HRID 2135533 reaction equation
[CH3:16][O:17][c:18]1[cH:19][c:20]([C:26]2([CH2:31][NH2:32])[CH2:27][CH2:28][CH2:29][CH2:30]2)[cH:21][cH:22][c:23]1[O:24][CH3:25].[CH3:1][c:2]1[o:3][c:4](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:5][c:6]1[C:7](=[O:8])[OH:9].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:64][C:65]#[N:66].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH3:1][c:2]1[o:3][c:4](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:5][c:6]1[C:7](=[O:9])[NH:32][CH2:31][C:26]1([c:20]2[cH:19][c:18]([O:17][CH3:16])[c:23]([O:24][CH3:25])[cH:22][cH:21]2)[CH2:27][CH2:28][CH2:29][CH2:30]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 7365162-Methyl-5-phenyl-3-furoic acidHCID 739193STK362959HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 57884141HCID 57884141, compound

Sources & evidence

ORD record
ord-5516dbd123c2468ea69e06e2f1c283a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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