Acetate → [6-(2-Benzyloxy-ethylamino)-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

HRID 105136

Reaction equation

HRID 105136 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[O:39][CH2:40][CH2:41][NH2:42].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:1][c:2]1[c:3](-[c:22]2[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]2)[cH:4][c:5]([CH3:21])[c:6]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][CH:13]([N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:14][CH2:15]2)[n:7]1.[Cs+:47].[Cs+:48].[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[Pd+2:56]>>[c:2]1([NH:42][CH2:41][CH2:40][O:39][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:3](-[c:22]2[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]2)[cH:4][c:5]([CH3:21])[c:6]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][CH:13]([N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:14][CH2:15]2)[n:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 5338682-(Benzyloxy)ethanamineHCID 44547211[6-Chloro-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

Product 1

HCID 67025369[6-(2-Benzyloxy-ethylamino)-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

Sources & evidence

ORD record
ord-da74936d04a44906b9ae9a4c20811e5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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