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

반응식

[ClH:37].[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][cH:30]5)[cH:10][cH:11]2)[O:5][CH2:4][CH2:3]1.[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]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][cH:30]4)[cH:10][cH:11]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 312751,4-Dioxane

HCID 594728818-[4-(1,3-Dioxolan-2-yl)phenyl]9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridine

생성물 1

HCID 594729044-(9-Phenyl[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)benzaldehyde

출처 및 근거

ORD 기록: ord-4933e246b95d42ab9e1356924cf3db33
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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