Ammonia → 5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N4-(6-methoxypyridin-3-yl)-N2,N2-dimethylpyrimidine-2,4-diamine

반응식

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:9][c:10]2[n:11][c:12]([N:25]([CH3:26])[CH3:27])[n:13][cH:14][c:15]2-[c:16]2[n:17][c:18]([S:23][CH3:24])[n:19][c:20]([CH3:22])[n:21]2)[cH:7][n:8]1.[NH3:28].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:9][c:10]2[n:11][c:12]([N:25]([CH3:26])[CH3:27])[n:13][cH:14][c:15]2-[c:16]2[n:17][c:18]([NH2:28])[n:19][c:20]([CH3:22])[n:21]2)[cH:7][n:8]1

참가 물질

반응물 3

HCID 222Ammonia

HCID 312751,4-Dioxane

HCID 66610492N4-(6-methoxypyridin-3-yl)-N2,N2-dimethyl-5-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)pyrimidine-2,4-diamine

생성물 1

HCID 595484005-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N4-(6-methoxypyridin-3-yl)-N2,N2-dimethylpyrimidine-2,4-diamine

출처 및 근거

ORD 기록: ord-e4a195fce700420cb5a99a2a882d5880
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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