Acetonitrile → Chloride

HRID 688204Notes

Reaction equation

HRID 688204 reaction equation
[CH3:37][C:38]#[N:39].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[cH:7][n:8][cH:9][c:10]([F:12])[cH:11]1.[N:13]12[CH2:14][CH:15]([O:21][C:22](=[O:23])[C:24]3([c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]3)[CH:16]([CH2:17][CH2:18]1)[CH2:19][CH2:20]2>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][n:8][cH:9][c:10]([F:12])[cH:11]1)[N+:13]12[CH2:14][CH:15]([O:21][C:22](=[O:23])[C:24]3([c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]3)[CH:16]([CH2:17][CH2:18]1)[CH2:19][CH2:20]2.[Cl-:1]

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 668858941-Azabicyclo[2.2.2]octan-3-yl 1-phenylcycloheptane-1-carboxylateHCID 67027756HCID 67027756, compound

Product 2

HCID 312ChlorideHCID 87350958HCID 87350958, compound

Sources & evidence

ORD record
ord-b885bbe3381b4ca5bc95dc86126817dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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