Ethanol → (6-Chloro-2-methoxy-pyrimidin-4-yl)-isochroman-1-ylmethyl-amine

HRID 2327150Notes

Reaction equation

[CH3:28][CH2:29][OH:30].[CH:11]1([CH2:21][NH2:22])[O:12][CH2:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21.[Cl:1][c:2]1[n:3][c:4]([O:9][CH3:10])[n:5][c:6]([Cl:8])[cH:7]1.[Na+:27].[O-:23][C:24]([OH:25])=[O:26].[OH2:31]>>[c:2]1([NH:22][CH2:21][CH:11]2[O:12][CH2:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]32)[n:3][c:4]([O:9][CH3:10])[n:5][c:6]([Cl:8])[cH:7]1

Participants

Reactant 6

HCID 702Ethanol

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 962Water

HCID 209070(3,4-dihydro-1H-isochromen-1-ylmethyl)amine

HCID 120521604,6-Dichloro-2-methoxypyrimidine

Product 1

HCID 86615712(6-Chloro-2-methoxy-pyrimidin-4-yl)-isochroman-1-ylmethyl-amine

Sources & evidence

ORD record: ord-43ceb366c9a94986ab52c0122bf850fa
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…