Acetate → HCID 10161350, compound

HRID 683460Notes

Reaction equation

HRID 683460 reaction equation
[Br:35][c:36]1[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]1.[C:50](=[O:51])([OH:52])[O-:53].[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[CH3:2][C:3]1([CH3:28])[O:4][c:5]2[c:6]([c:15]([CH3:27])[c:16]([N:21]3[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]3)[c:17]([CH3:20])[c:18]2[CH3:19])[CH:7]1[c:8]1[cH:9][cH:10][c:11]([CH3:14])[cH:12][cH:13]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[ClH:1].[Na+:34].[Na+:54].[Pd+2:59]>>[CH3:2][C:3]1([CH3:28])[O:4][c:5]2[c:6]([c:15]([CH3:27])[c:16]([N:21]3[CH2:22][CH2:23][N:24]([c:36]4[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]4)[CH2:25][CH2:26]3)[c:17]([CH3:20])[c:18]2[CH3:19])[CH:7]1[c:8]1[cH:9][cH:10][c:11]([CH3:14])[cH:12][cH:13]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 1140TolueneHCID 78054-BromotolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 10109387HCID 10109387, compound

Product 1

HCID 10161350HCID 10161350, compound

Sources & evidence

ORD record
ord-7ca0508b47a149b19f25e97d56a72e67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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