Acetate → HCID 178420147, compound

HRID 182405Notes

Reaction equation

HRID 182405 reaction equation
[Br:7][c:8]1[cH:9][n:10][cH:11][cH:12][cH:13]1.[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:37][C:38]([OH:39])([CH3:40])[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Na+:6].[OH2:49].[Pd+2:54].[c:14]1(-[c:20]2[n:21][cH:22][c:23](-[c:26]3[n:27][c:28]([CH:31]4[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]4)[nH:29][cH:30]3)[cH:24][n:25]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:8]1([N:34]2[CH2:33][CH2:32][CH:31]([c:28]3[n:27][c:26](-[c:23]4[cH:22][n:21][c:20](-[c:14]5[cH:15][cH:16][cH:17][cH:18][cH:19]5)[n:25][cH:24]4)[cH:30][nH:29]3)[CH2:36][CH2:35]2)[cH:9][n:10][cH:11][cH:12][cH:13]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 6386tert-ButanolHCID 122863-BromopyridineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 178420149HCID 178420149, compound

Product 1

HCID 178420147HCID 178420147, compound

Sources & evidence

ORD record
ord-c136edf295bb48c19a81c1cd76274223
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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