Hydrochloric Acid → trans-4-[5-(4-Pentylcyclohexyl)-2-pyrimidinyl]benzonitrile

HRID 684883Notes

Reaction equation

HRID 684883 reaction equation
[CH2:11]([CH2:12][CH2:13][CH2:14][CH3:15])[CH:16]1[CH2:17][CH2:18][CH:19]([c:22]2[cH:23][n:24][c:25](-[c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[NH2:34])[cH:35][cH:36]3)[n:26][cH:27]2)[CH2:20][CH2:21]1.[CH2:44]([Cl:45])[Cl:46].[ClH:43].[c:1]1([S:2]([Cl:3])(=[O:4])=[O:5])[cH:6][cH:7][cH:8][cH:9][cH:10]1.[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[CH2:11]([CH2:12][CH2:13][CH2:14][CH3:15])[CH:16]1[CH2:17][CH2:18][CH:19]([c:22]2[cH:23][n:24][c:25](-[c:28]3[cH:29][cH:30][c:31]([C:32]#[N:34])[cH:35][cH:36]3)[n:26][cH:27]2)[CH2:20][CH2:21]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 6344DichloromethaneHCID 7369Benzenesulfonyl chlorideHCID 20497790HCID 20497790, compound

Product 1

HCID 3085839trans-4-[5-(4-Pentylcyclohexyl)-2-pyrimidinyl]benzonitrile

Sources & evidence

ORD record
ord-b97fa18212834b4ca673cef4b8111356
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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