Acetate → HCID 178471135, compound

HRID 1149875Notes

Reaction equation

HRID 1149875 reaction equation
[Br:1][c:2]1[c:3]([CH3:15])[cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:6][n:7]1.[C:44](=[O:45])([O-:46])[O-:47].[CH2:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[N:57]1[CH2:58][CH:59]([NH2:62])[CH2:60][CH2:61]1.[CH:16]1([P:17]([CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2-[c:30]2[c:31]([N:32]([CH3:33])[CH3:34])[cH:35][cH:36][cH:37][cH:38]2)[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[Cs+:48].[Cs+:49].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[O:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[Pd+2:69]>>[c:2]1([NH:62][CH:59]2[CH2:58][N:57]([CH2:50][c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[CH2:61][CH2:60]2)[c:3]([CH3:15])[cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:6][n: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 27566131-Benzyl-3-aminopyrrolidineHCID 90767858Ethyl 3-(6-bromo-5-methyl-3-pyridinyl)prop-2-enoate

Product 1

HCID 178471135HCID 178471135, compound

Sources & evidence

ORD record
ord-553f0f9aa32543a58e0558ed18cb98ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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