Hydrochloric Acid → Hydrochloric Acid

HRID 2131148Notes

Reaction equation

HRID 2131148 reaction equation
[CH3:39][OH:40].[ClH:33].[F:22][c:23]1[cH:24][cH:25][c:26]([CH2:27][OH:28])[cH:29][cH:30]1.[H-:31].[Na+:32].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9](-[c:15]3[c:16]([F:21])[cH:17][n:18][cH:19][cH:20]3)[cH:10][c:11](=[O:14])[n:12]2[CH3:13])[CH2:5][CH2:6]1.[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1>>[ClH:33].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9](-[c:15]3[c:16]([O:28][CH2:27][c:26]4[cH:25][cH:24][c:23]([F:22])[cH:30][cH:29]4)[cH:17][n:18][cH:19][cH:20]3)[cH:10][c:11](=[O:14])[n:12]2[CH3:13])[CH2:5][CH2:6]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 680224-Fluorobenzylic alcoholHCID 166653HydrideHCID 578777672-(morpholin-4-yl)-3-methyl-6-(3-fluoropyridin-4-yl)-3H-pyrimidin-4-one

Product 2

HCID 313Hydrochloric AcidHCID 578777436-[3-[(4-Fluorophenyl)methoxy]-4-pyridinyl]-3-methyl-2-morpholin-4-ylpyrimidin-4-one

Sources & evidence

ORD record
ord-91d366b2443a4455b1b0cd6ed11ec4d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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