Tetrahydrofuran → Brofoxine

HRID 197837Notes

Reaction equation

HRID 197837 reaction equation
[C:13](=[O:14])([n:15]1[cH:16][cH:17][n:18][cH:19]1)[n:20]1[cH:21][cH:22][n:23][cH:24]1.[CH2:25]1[O:26][CH2:27][CH2:28][CH2:29]1.[NH2:1][c:2]1[c:3]([C:9]([CH3:10])([CH3:11])[OH:12])[cH:4][c:5]([Br:8])[cH:6][cH:7]1>>[NH:1]1[c:2]2[c:3]([cH:4][c:5]([Br:8])[cH:6][cH:7]2)[C:9]([CH3:10])([CH3:11])[O:12][C:13]1=[O:14]

Participants

4

Reactant 3

HCID 8028TetrahydrofuranHCID 682631,1'-CarbonyldiimidazoleHCID 120422752-(2-Amino-5-bromophenyl)propan-2-ol

Product 1

HCID 30630Brofoxine

Sources & evidence

ORD record
ord-f47c37f99f134074ab86adcede3f00f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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