Water → (RS)-1-[2-(4-Cyano-1H-benzoimidazol-2-ylmethyl)-piperidin-1-yl]-1-[5-(4-fluorophenyl)-2-methylthiazol-4-yl]methanone

HRID 153786Notes

Reaction equation

HRID 153786 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[nH:7][c:8]([CH2:11][CH:12]3[N:13]([C:18](=[O:19])[c:20]4[n:21][c:22]([CH3:32])[s:23][c:24]4-[c:25]4[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]4)[CH2:14][CH2:15][CH2:16][CH2:17]3)[n:9][c:10]12.[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[Cu:33][C:34]#[N:35].[OH2:36]>>[c:2]1([C:34]#[N:35])[cH:3][cH:4][cH:5][c:6]2[nH:7][c:8]([CH2:11][CH:12]3[N:13]([C:18](=[O:19])[c:20]4[n:21][c:22]([CH3:32])[s:23][c:24]4-[c:25]4[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]4)[CH2:14][CH2:15][CH2:16][CH2:17]3)[n:9][c:10]12

Participants

5

Reactant 4

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 17973675HCID 17973675, compoundHCID 178418546HCID 178418546, compound

Product 1

HCID 17973695(RS)-1-[2-(4-Cyano-1H-benzoimidazol-2-ylmethyl)-piperidin-1-yl]-1-[5-(4-fluorophenyl)-2-methylthiazol-4-yl]methanone

Sources & evidence

ORD record
ord-b727e01eb8e643e69ca037a98a24c888
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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