Acetate → 4-Isobutoxymethyl-biphenyl

HRID 191269

Reaction equation

HRID 191269 reaction equation
[C:52](=[O:53])([O-:54])[O-:55].[CH2:58]1[O:59][CH2:60][CH2:61][O:62][CH2:63]1.[CH3:14][CH:15]([CH2:16][O:17][CH2:18][B:19]([OH:20])[OH:21])[CH3:22].[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][cH:43][c:44]2[O:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1.[Cs+:56].[Cs+:57].[O-:66][C:67]([CH3:68])=[O:69].[O-:70][C:71]([CH3:72])=[O:73].[OH2:64].[Pd+2:65]>>[c:2]1([CH2:18][O:17][CH2:16][CH:15]([CH3:14])[CH3:22])[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 163234-ChlorobiphenylHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 59259715(2-Methylpropoxy)methyl boronic acid

Product 1

HCID 592597254-Isobutoxymethyl-biphenyl

Sources & evidence

ORD record
ord-ef0573777b3c49caac564861cf920973
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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