Acetonitrile → HCID 59542549, compound

HRID 172935

Reaction equation

HRID 172935 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[s:15][cH:16][c:17]([C:19](=[O:20])[OH:21])[cH:18]2)[CH2:12][CH2:13]1.[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:63][C:64]#[N:65].[NH:29]1[CH2:30][CH2:31][CH2:32][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH:38]12.[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[s:15][cH:16][c:17]([C:19](=[O:20])[N:29]3[CH2:30][CH2:31][CH2:32][CH:33]4[CH2:34][CH2:35][CH2:36][CH2:37][CH:38]34)[cH:18]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 92911DecahydroquinolineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 595424805-(1-(Tert-butoxycarbonyl)piperidin-4-yl)thiophene-3-carboxylic acid

Product 1

HCID 59542549HCID 59542549, compound

Sources & evidence

ORD record
ord-dde7c1b1f75e4771ae46f4b145ffabbd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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