Acetate → HCID 4128459, compound

HRID 1239740Notes

Reaction equation

HRID 1239740 reaction equation
[C:12](#[N:13])[c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1.[CH:23]1([P:24]([CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2-[c:37]2[c:38]([O:39][CH3:40])[cH:41][cH:42][c:43]([S:44]([O-:45])(=[O:46])=[O:47])[c:48]2[O:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:11])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[K+:57].[K+:58].[Na+:56].[O-:59][C:60]([O-:61])=[O:62].[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[OH2:72].[Pd+2:63]>>[c:2]1(-[c:17]2[cH:16][cH:15][c:14]([C:12]#[N:13])[cH:19][cH:18]2)[cH:3][cH:4][c:5]([OH:11])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 94475-Chlorosalicylic AcidHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343264-Cyanophenylboronic acidHCID 863145343-(2-Dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate

Product 1

HCID 4128459HCID 4128459, compound

Sources & evidence

ORD record
ord-10d94624570a4c9c9e3839783a0dfac7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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