Acetate → HCID 58016723, compound

HRID 1572516Notes

Reaction equation

HRID 1572516 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]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+:40].[Cs+:41].[NH2:32][CH2:33][CH2:34][NH2:35].[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[Pd+2:49]>>[c:2]1([NH:35][CH2:34][CH2:33][NH2:32])[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 3301EthylenediamineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 44547211[6-Chloro-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

Product 1

HCID 58016723HCID 58016723, compound

Sources & evidence

ORD record
ord-17658395658644c0b7506c8f0ca03000
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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