Carbonate Ion → 2-Chloro-4-[3-(2-hydroxypropan-2-yl)-2-methylpyrrolidin-1-yl]-5-methylbenzonitrile

Reaction equation

[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH3:11])[c:8]([F:10])[cH:9]1.[Li+:22].[Li+:23].[O-:24][C:25](=[O:26])[O-:27].[OH:12][C:13]([CH3:14])([CH3:15])[CH:16]1[CH:17]([CH3:21])[NH:18][CH2:19][CH2:20]1>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH3:11])[c:8]([N:18]2[CH:17]([CH3:21])[CH:16]([C:13]([OH:12])([CH3:14])[CH3:15])[CH2:20][CH2:19]2)[cH:9]1

Participants

Reactant 4

HCID 19660Carbonate Ion

HCID 28486Lithium Cation2×

HCID 569655632-Chloro-4-fluoro-5-methylbenzonitrile

HCID 762252362-(2-Methylpyrrolidin-3-yl)propan-2-ol

Product 1

HCID 722726962-Chloro-4-[3-(2-hydroxypropan-2-yl)-2-methylpyrrolidin-1-yl]-5-methylbenzonitrile

Sources & evidence

ORD record: ord-0f43f9b2b799471a9c3c4a0ba0af008f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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