Acetonitrile → 4-{3-[7-(4-Fluorobenzyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]-2-hydroxypropoxy}benzonitrile
Reaction equation
[CH3:35][C:36]#[N:37].[Cl:32][CH2:33][Cl:34].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][Br:7])[cH:8][cH:9]1.[OH:10][CH:11]([CH2:12][O:13][c:14]1[cH:15][cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21]1)[CH2:22][N:23]1[CH2:24][CH:25]2[CH2:26][NH:27][CH2:28][CH:29]([CH2:30]1)[O:31]2>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:27]2[CH2:26][CH:25]3[CH2:24][N:23]([CH2:22][CH:11]([OH:10])[CH2:12][O:13][c:14]4[cH:15][cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21]4)[CH2:30][CH:29]([CH2:28]2)[O:31]3)[cH:8][cH:9]1Participants
5
Sources & evidence
- ORD record
- ord-e45a8844a084408e986118ea42a5bf48
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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