Hydrochloric Acid → Hydrochloric Acid

HRID 1536982Notes

Reaction equation

HRID 1536982 reaction equation
[CH2:22]1[O:23][CH2:24][CH2:25][CH2:26]1.[CH2:32]([N+:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH3:48].[Cl:12][CH2:13][CH2:14][N:15]([CH3:16])[CH2:17][CH2:18][Cl:19].[ClH:11].[F:1][c:2]1[c:3]([CH2:8][C:9]#[N:10])[cH:4][cH:5][cH:6][cH:7]1.[Na+:21].[OH-:20].[OH2:49].[S:27]([O-:28])([OH:29])(=[O:30])=[O:31]>>[ClH:12].[F:1][c:2]1[c:3]([C:8]2([C:9]#[N:10])[CH2:13][CH2:14][N:15]([CH3:16])[CH2:17][CH2:18]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

11

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 4033MechlorethamineHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 61778Sulfate, hydrogenHCID 67592Benzeneacetonitrile, 2-fluoro-

Product 2

HCID 313Hydrochloric AcidHCID 127334734-(2-Fluorophenyl)-1-methyl-4-piperidinecarbonitrile

Sources & evidence

ORD record
ord-3b73bfe729e24e33bf29150e3826a812
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…