Acetonitrile → Chloride

HRID 290649Notes

Reaction equation

HRID 290649 reaction equation
[CH3:35][C:36]#[N:37].[Cl:25][CH2:26][C:27](=[O:28])[NH:29][c:30]1[n:31][cH:32][n:33][s:34]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][n:33][s:34]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 22887946HCID 22887946, compoundHCID 668858941-Azabicyclo[2.2.2]octan-3-yl 1-phenylcycloheptane-1-carboxylate

Product 2

HCID 312ChlorideHCID 87350941HCID 87350941, compound

Sources & evidence

ORD record
ord-4cb7b3097ac14626a2bfb5ac7047c4bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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