Acetate → HCID 86672646, compound

HRID 1544191Notes

Reaction equation

HRID 1544191 reaction equation
[C:17](=[O:18])([O-:19])[O-:20].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[CH:13]([CH3:14])([CH3:15])[NH2:16].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([Cl:12])[n:11]1.[Cs+:21].[Cs+:22].[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[Pd+2:76].[cH:23]1[cH:24][cH:25][c:26]([P:27]([c:28]2[cH:29][cH:30][c:31]3[c:32]([cH:33][cH:34][cH:35][cH:36]3)[c:37]2-[c:38]2[c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[cH:45][cH:46][c:47]2[P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68]1>>[c:2]1([NH:16][CH:13]([CH3:14])[CH3:15])[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([Cl:12])[n:11]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 6363IsopropylamineHCID 19660Carbonate IonHCID 93237Methyl 2,6-dichloroisonicotinateHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-

Product 1

HCID 86672646HCID 86672646, compound

Sources & evidence

ORD record
ord-4443cbd7f38246a49a64eff8d7431d19
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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