Isopropanol → 1-[3-(2-Cyanophenoxy)-2-hydroxypropyl]-4-(3-fluoro-2-pyridyl)piperazine

HRID 86882

Reaction equation

HRID 86882 reaction equation
[C:14](#[N:15])[c:16]1[c:17]([O:18][CH2:19][CH:20]2[CH2:21][O:22]2)[cH:23][cH:24][cH:25][cH:26]1.[CH:27]([OH:28])([CH3:29])[CH3:30].[F:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[n:4][cH:5][cH:6][cH:7]1>>[F:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:21][CH:20]([CH2:19][O:18][c:17]3[c:16]([C:14]#[N:15])[cH:26][cH:25][cH:24][cH:23]3)[OH:22])[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 1349871-(3-Fluoro-2-pyridinyl)piperazineHCID 126196712-(Oxiran-2-ylmethoxy)benzonitrile

Product 1

HCID 202321761-[3-(2-Cyanophenoxy)-2-hydroxypropyl]-4-(3-fluoro-2-pyridyl)piperazine

Sources & evidence

ORD record
ord-74038154abce4491a777453bc8bef0a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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