Acetonitrile → Chloride

HRID 105200Notes

Reaction equation

HRID 105200 reaction equation
[CH3:38][C:39]#[N:40].[Cl:25][CH2:26][C:27](=[O:28])[NH:29][c:30]1[n:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]1.[N:1]12[CH2:2][CH:3]([O:9][C:10](=[O:11])[C:12]3([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2>>[Cl-:25].[N+:1]12([CH2:26][C:27](=[O:28])[NH:29][c:30]3[n:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]3)[CH2:2][CH:3]([O:9][C:10](=[O:11])[C:12]3([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 445742932-chloro-N-(5-cyano-2-pyridinyl)acetamideHCID 668858941-Azabicyclo[2.2.2]octan-3-yl 1-phenylcycloheptane-1-carboxylate

Product 2

HCID 312ChlorideHCID 76768910[1-[2-[(5-Cyano-2-pyridinyl)amino]-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate

Sources & evidence

ORD record
ord-d66e9799d9d84a7289cd089afe7a9ed2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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