Acetonitrile → 4-[4-(1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane-6-carbonyl)-thiophen-2-yl]-piperidine-1 carboxylic acid tert-butyl ester

HRID 2126654Notes

Reaction equation

HRID 2126654 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].[CH3:29][C:30]12[CH2:31][C:32]([CH3:38])([CH3:39])[CH2:33][CH:34]([NH:35][CH2:36]1)[CH2:37]2.[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>>[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:35]3[CH:34]4[CH2:33][C:32]([CH3:38])([CH3:39])[CH2:31][C:30]([CH3:29])([CH2:36]3)[CH2:37]4)[cH:18]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 1037871,3,3-Trimethyl-6-azabicyclo(3.2.1)octaneHCID 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 595425534-[4-(1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane-6-carbonyl)-thiophen-2-yl]-piperidine-1 carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-0b90b05b5a2f432484e14c7899e46928
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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