Potassium Cation → 2-(Cyclopropylmethyl-propyl-amino)-5-trifluoromethyl-benzaldehyde

HRID 204803

Reaction equation

HRID 204803 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH:14]1([CH2:17][NH:18][CH2:19][CH2:20][CH3:21])[CH2:15][CH2:16]1.[F:1][c:2]1[c:3]([CH:4]=[O:5])[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1.[K+:26].[K+:27].[OH2:41]>>[c:2]1([N:18]([CH2:17][CH:14]2[CH2:15][CH2:16]2)[CH2:19][CH2:20][CH3:21])[c:3]([CH:4]=[O:5])[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 117787Cyclopropanemethanamine, N-propyl-HCID 27349042-Fluoro-5-(trifluoromethyl)benzaldehyde

Product 1

HCID 866267692-(Cyclopropylmethyl-propyl-amino)-5-trifluoromethyl-benzaldehyde

Sources & evidence

ORD record
ord-50fc61e51b8d4d72a9c9832c70c0a804
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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