Acetate → HCID 21914155, compound

HRID 1120220Notes

Reaction equation

HRID 1120220 reaction equation
[Br:1][c:2]1[c:3]([O:11][CH3:12])[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[CH2:45]([OH:46])[CH2:47][CH3:48].[ClH:13].[NH2:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1.[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[OH2:44].[Pd+2:49].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[c:2]1(-[c:19]2[cH:18][cH:17][c:16]([CH2:15][NH2:14])[cH:21][cH:20]2)[c:3]([O:11][CH3:12])[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 962WaterHCID 10311-PropanolHCID 11776TriphenylphosphineHCID 788702-Bromo-4-nitroanisoleHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2734312(4-(Aminomethyl)phenyl)boronic acid

Product 1

HCID 21914155HCID 21914155, compound

Sources & evidence

ORD record
ord-e3af09c7aa66406b8db704348534bc83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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