Acetonitrile → Chloride

HRID 1131182

Reaction equation

HRID 1131182 reaction equation
[CH3:36][C:37]#[N:38].[Cl:25][CH2:26][C:27](=[O:28])[NH:29][c:30]1[cH:31][n:32][cH:33][n: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[cH:31][n:32][cH:33][n: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 202081392-Chloro-N-pyrimidin-5-yl-acetamideHCID 668858941-Azabicyclo[2.2.2]octan-3-yl 1-phenylcycloheptane-1-carboxylate

Product 2

HCID 312ChlorideHCID 87242813[1-[2-Oxo-2-(pyrimidin-5-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate

Sources & evidence

ORD record
ord-ee800546b4b74fbda7d86a7679275900
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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