Acetate → HCID 68488542, compound

HRID 673973Notes

Reaction equation

HRID 673973 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[C:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[NH:51].[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:53][C:54](=[O:55])[O-:56].[ClH:57].[Cs+:36].[Cs+:37].[NH2:58][OH:59].[Na+:52].[O:1]1[CH:2]([CH2:11][N:12]2[CH2:13][CH:14]([c:18]3[cH:19][c:20]([O:24][S:25]([C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])[cH:21][cH:22][cH:23]3)[CH2:15][CH2:16][CH2:17]2)[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[Pd+2:69]>>[O:1]1[CH:2]([CH2:11][N:12]2[CH2:13][CH:14]([c:18]3[cH:19][c:20]([NH2:51])[cH:21][cH:22][cH:23]3)[CH2:15][CH2:16][CH2:17]2)[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2

Participants

11

Reactant 10

HCID 175Acetate3×HCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 136809Benzophenone imineHCID 178527612HCID 178527612, compound

Product 1

HCID 68488542HCID 68488542, compound

Sources & evidence

ORD record
ord-c61f256700e44490b730d391df21d9ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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