Hexane → HCID 23114300, compound

HRID 1130211Notes

Reaction equation

HRID 1130211 reaction equation
[Br:1][c:2]1[c:3]([CH3:29])[c:4]2[c:5]([c:18]([CH3:28])[c:19]1[NH:20][C:21]([CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH:6]([c:9]1[cH:10][cH:11][c:12]([CH:15]([CH3:16])[CH3:17])[cH:13][cH:14]1)[CH2:7][O:8]2.[C:39]([O:40][CH2:41][CH3:42])(=[O:43])[CH3:44].[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[OH:30][B:31]([OH:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[c:2]1(-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:3]([CH3:29])[c:4]2[c:5]([c:18]([CH3:28])[c:19]1[NH:20][C:21]([CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH:6]([c:9]1[cH:10][cH:11][c:12]([CH:15]([CH3:16])[CH3:17])[cH:13][cH:14]1)[CH2:7][O:8]2

Participants

5

Reactant 4

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 66827Phenylboronic AcidHCID 23113846HCID 23113846, compound

Product 1

HCID 23114300HCID 23114300, compound

Sources & evidence

ORD record
ord-eab7dfe81f2643c3a805452205d0d87a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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