Acetonitrile → HCID 57884153, compound

HRID 1209020Notes

Reaction equation

HRID 1209020 reaction equation
[CH3:12][O:13][c:14]1[cH:15][c:16]([C:22]2([CH2:27][NH2:28])[CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:17][cH:18][c:19]1[O:20][CH3:21].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:60][C:61]#[N:62].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[c:1]1([S:7][CH2:8][C:9](=[O:10])[OH:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[c:1]1([S:7][CH2:8][C:9](=[O:11])[NH:28][CH2:27][C:22]2([c:16]3[cH:15][c:14]([O:13][CH3:12])[c:19]([O:20][CH3:21])[cH:18][cH:17]3)[CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 59541(Phenylthio)acetic acidHCID 739193STK362959HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 57884153HCID 57884153, compound

Sources & evidence

ORD record
ord-949ddd9546ff4b02ad19ce57fa497648
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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