Hydrochloric Acid → 4-[3-(Hydroxymethyl)-9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]benzaldehyde

HRID 150715Notes

Reaction equation

HRID 150715 reaction equation
[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[ClH:33].[O:1]1[CH:2]([c:6]2[cH:7][cH:8][c:9](-[c:12]3[n:13][c:14]4[cH:15][cH:16][n:17]5[c:18]([c:19]4[cH:20][c:21]3-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[n:28][n:29][c:30]5[CH2:31][OH:32])[cH:10][cH:11]2)[O:5][CH2:4][CH2:3]1>>[O:1]=[CH:2][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][c:14]3[cH:15][cH:16][n:17]4[c:18]([c:19]3[cH:20][c:21]2-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[n:28][n:29][c:30]4[CH2:31][OH:32])[cH:10][cH:11]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 59472958{8-[4-(1,3-Dioxolan-2-yl)phenyl]-9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-3-yl}methanol

Product 1

HCID 594728804-[3-(Hydroxymethyl)-9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]benzaldehyde

Sources & evidence

ORD record
ord-cee106dc24f44ba6a1db2146e582af64
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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