Acetate → HCID 66672218, compound

HRID 2159626Notes

Reaction equation

HRID 2159626 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl:1][c:2]1[n:3][c:4]2[c:9]([cH:10][n:11]1)-[n:8]1[c:7]([n:14][n:13][cH:12]1)[CH:6]([CH2:15][CH3:16])[N:5]2[CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1.[Cs+:41].[Cs+:42].[NH2:22][c:23]1[c:24]([C:33]([F:34])([F:35])[F:36])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH3:30])[cH:31][cH:32]1.[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[Pd+2:59]>>[c:2]1([NH:22][c:23]2[c:24]([C:33]([F:34])([F:35])[F:36])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH3:30])[cH:31][cH:32]2)[n:3][c:4]2[c:9]([cH:10][n:11]1)-[n:8]1[c:7]([n:14][n:13][cH:12]1)[CH:6]([CH2:15][CH3:16])[N:5]2[CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 621563944-amino-N-methyl-3-(trifluoromethyl)benzamideHCID 722857197-chloro-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine

Product 1

HCID 66672218HCID 66672218, compound

Sources & evidence

ORD record
ord-5229c4b1204d486d9f3469e369f5a00f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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