Hydrochloric Acid → 6-(6-Methoxypyridin-3-ylamino)-5-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)nicotinaldehyde

반응식

[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[ClH:1].[O:2]1[CH:3]([c:7]2[cH:8][c:9](-[c:22]3[n:23][c:24]([S:29][CH3:30])[n:25][c:26]([CH3:28])[n:27]3)[c:10]([NH:13][c:14]3[cH:15][n:16][c:17]([O:20][CH3:21])[cH:18][cH:19]3)[n:11][cH:12]2)[O:6][CH2:5][CH2:4]1>>[O:2]=[CH:3][c:7]1[cH:8][c:9](-[c:22]2[n:23][c:24]([S:29][CH3:30])[n:25][c:26]([CH3:28])[n:27]2)[c:10]([NH:13][c:14]2[cH:15][n:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[n:11][cH:12]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 8028Tetrahydrofuran

HCID 666112635-(1,3-dioxolan-2-yl)-N-(6-methoxypyridin-3-yl)-3-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)pyridin-2-amine

생성물 1

HCID 866470496-(6-Methoxypyridin-3-ylamino)-5-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)nicotinaldehyde

출처 및 근거

ORD 기록: ord-72078d33b7094ed8b87f5e0ca191fc3a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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