Benzene → HCID 12339189, compound

HRID 685606Notes

Reaction equation

HRID 685606 reaction equation
[BH4-:28].[CH3:2][I:3].[CH3:36][CH2:37][OH:38].[CH3:4][O:5][c:6]1[cH:7][c:8]([C:12]23[CH2:13][CH2:14][CH2:15][CH:16]([N:17]([CH2:20][c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[C:18]2=[O:19])[CH2:27]3)[cH:9][cH:10][cH:11]1.[Li:1].[Na+:29].[OH2:39].[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:2][CH:18]1[C:12]2([c:8]3[cH:7][c:6]([O:5][CH3:4])[cH:11][cH:10][cH:9]3)[CH2:13][CH2:14][CH2:15][CH:16]([N:17]1[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH2:27]2

Participants

9

Reactant 8

HCID 241BenzeneHCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 6328Methyl iodideHCID 28123BorohydrideHCID 3028194LithiumHCID 12339188HCID 12339188, compound

Product 1

HCID 12339189HCID 12339189, compound

Sources & evidence

ORD record
ord-406b3d46f6bf49d9a6058e6d40e6bc85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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