Acetate → HCID 11595634, compound

HRID 2161875Notes

Reaction equation

HRID 2161875 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([c:8]([NH2:12])[n:9][c:10]2[cH:11]1)[n:13][c:14]([CH2:20][CH2:21][CH3:22])[n:15]3[NH:16][CH:17]([CH3:18])[CH3:19].[CH2:57]([OH:58])[CH2:59][CH3:60].[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[OH2:70].[OH:23][B:24]([OH:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Pd+2:61].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[c:2]1(-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:3][cH:4][c:5]2[c:6]3[c:7]([c:8]([NH2:12])[n:9][c:10]2[cH:11]1)[n:13][c:14]([CH2:20][CH2:21][CH3:22])[n:15]3[NH:16][CH:17]([CH3:18])[CH3:19]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 10311-PropanolHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 69177518HCID 69177518, compound

Product 1

HCID 11595634HCID 11595634, compound

Sources & evidence

ORD record
ord-f1ab1bcb88ed428d85c3600c0a70ae6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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