Acetate → HCID 45790716, compound

HRID 1561544Notes

Reaction equation

HRID 1561544 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[CH2:20]([P:21]([C:22]12[CH2:23][CH:24]3[CH2:25][CH:26]([CH2:27][CH:28]([CH2:29]3)[CH2:30]1)[CH2:31]2)[C:32]12[CH2:33][CH:34]3[CH2:35][CH:36]([CH2:37][CH:38]([CH2:39]3)[CH2:40]1)[CH2:41]2)[CH2:42][CH2:43][CH3:44].[Cl:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[Cs+:49].[Cs+:50].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[Pd+2:55]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 6228DimethylformamideHCID 7964ChlorobenzeneHCID 84973-Nitrobenzoic acidHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 11371790Bis(adamantan-1-yl)(butyl)phosphane

Product 1

HCID 45790716HCID 45790716, compound

Sources & evidence

ORD record
ord-68871403852a4bfeb1ff90de4db2188f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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