3-(Bromomethyl)-4-fluorobenzonitrile → 4-{(5-Cyano-2-fluoro-benzyl)-[4-(4-methoxycarbonyl-phenoxy)-phenyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester

HRID 1118331Notes

Reaction equation

HRID 1118331 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[cH:16][cH:17][c:18]([O:21][c:22]3[cH:23][cH:24][c:25]([C:28](=[O:29])[O:30][CH3:31])[cH:26][cH:27]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1.[F:32][c:33]1[c:34]([CH2:35][Br:36])[cH:37][c:38]([C:41]#[N:42])[cH:39][cH:40]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]([c:15]2[cH:16][cH:17][c:18]([O:21][c:22]3[cH:23][cH:24][c:25]([C:28](=[O:29])[O:30][CH3:31])[cH:26][cH:27]3)[cH:19][cH:20]2)[CH2:35][c:34]2[c:33]([F:32])[cH:40][cH:39][c:38]([C:41]#[N:42])[cH:37]2)[CH2:12][CH2:13]1

Participants

3

Reactant 2

HCID 162272363-(Bromomethyl)-4-fluorobenzonitrileHCID 68968593HCID 68968593, compound

Product 1

HCID 689717214-{(5-Cyano-2-fluoro-benzyl)-[4-(4-methoxycarbonyl-phenoxy)-phenyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-2b4ac990e7e94491ad350907719ab8cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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