Water → (RS)-2-(1-{1-[5-(4-Fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanoyl}-piperidin-2-ylmethyl)-benzofuran-3-carbonitrile

HRID 203890Notes

Reaction equation

HRID 203890 reaction equation
[Br:1][c:2]1[c:3]([CH2:11][CH:12]2[N:13]([C:18](=[O:19])[c:20]3[n:21][c:22]([CH3:32])[s:23][c:24]3-[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH2:14][CH2:15][CH2:16][CH2:17]2)[o:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[Cu:33][C:34]#[N:35].[OH2:36]>>[c:2]1([C:34]#[N:35])[c:3]([CH2:11][CH:12]2[N:13]([C:18](=[O:19])[c:20]3[n:21][c:22]([CH3:32])[s:23][c:24]3-[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH2:14][CH2:15][CH2:16][CH2:17]2)[o:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2

Participants

6

Reactant 5

HCID 962WaterHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 23146338(RS)-1-[2-(3-bromo-benzofuran-2-ylmethyl)-piperidin-1-yl]-1-[5-(4-fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanoneHCID 178418546HCID 178418546, compound

Product 1

HCID 23146262(RS)-2-(1-{1-[5-(4-Fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanoyl}-piperidin-2-ylmethyl)-benzofuran-3-carbonitrile

Sources & evidence

ORD record
ord-d5cdfbdc69af4bc5addd439a0f8db59d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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