Acetate → HCID 178471125, compound

HRID 101995Notes

Reaction equation

HRID 101995 reaction equation
[C:57](=[O:58])([O-:59])[O-:60].[CH2:63]1[O:64][CH2:65][CH2:66][O:67][CH2:68]1.[CH:15]1([CH2:21][N:22]2[CH2:23][CH:24]([NH2:28])[CH2:25][CH2:26][CH2:27]2)[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1.[CH:29]1([P:30]([CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2-[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[N:49]([CH3:50])[CH3:51])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[n:6][cH:7]1.[Cs+:61].[Cs+:62].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[Pd+2:69]>>[c:2]1([NH:28][CH:24]2[CH2:23][N:22]([CH2:21][CH:15]3[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:27][CH2:26][CH2:25]2)[n:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[n:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenylHCID 114469121-(Cyclohexylmethyl)piperidin-3-amineHCID 91486200Ethyl 3-(5-chloropyrazin-2-yl)prop-2-enoate

Product 1

HCID 178471125HCID 178471125, compound

Sources & evidence

ORD record
ord-a3848afb4b404666ac78d48c5e8cc947
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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