Methanol → N4-[4-(1,3-benzoxazol-2-ylamino)phenyl]pyrimidine-4,5-diamine

반응식

[CH3:29][OH:30].[H:27][H:28].[o:1]1[c:2]([NH:10][c:11]2[cH:12][cH:13][c:14]([NH:17][c:18]3[n:19][cH:20][n:21][cH:22][c:23]3[N+:24]([O-:25])=[O:26])[cH:15][cH:16]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[c:2]([NH:10][c:11]2[cH:12][cH:13][c:14]([NH:17][c:18]3[n:19][cH:20][n:21][cH:22][c:23]3[NH2:24])[cH:15][cH:16]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

참가 물질

반응물 3

HCID 887Methanol

HCID 70165770N-1,3-benzoxazol-2-yl-N'-(5-nitropyrimidin-4-yl)benzene-1,4-diamine

HCID 178418361HCID 178418361, 화합물

생성물 1

HCID 70162511N4-[4-(1,3-benzoxazol-2-ylamino)phenyl]pyrimidine-4,5-diamine

출처 및 근거

ORD 기록: ord-7b8133874c794467bd0cf95da4abf8af
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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