Hydrochloric Acid → (+)-N4-(2,6-dimethoxypyridin-3-yl)-N2-[2,3-dihydro-2-(N-methylamino)carbonylbenzofuran-5-yl]-5-fluoro-2,4-pyrimidinediamine

반응식

[CH3:2][NH2:3].[CH3:4][O:5][c:6]1[n:7][c:8]([O:34][CH3:35])[cH:9][cH:10][c:11]1[NH:12][c:13]1[n:14][c:15]([NH:20][c:21]2[cH:22][cH:23][c:24]3[c:25]([cH:33]2)[CH2:26][CH:27]([C:29]([O:31][CH3:30])=[O:32])[O:28]3)[n:16][cH:17][c:18]1[F:19].[ClH:1]>>[CH3:2][NH:3][C:29]([CH:27]1[CH2:26][c:25]2[c:24]([cH:23][cH:22][c:21]([NH:20][c:15]3[n:14][c:13]([NH:12][c:11]4[c:6]([O:5][CH3:4])[n:7][c:8]([O:34][CH3:35])[cH:9][cH:10]4)[c:18]([F:19])[cH:17][n:16]3)[cH:33]2)[O:28]1)=[O:31]

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 6329Methylamine

HCID 22060286N2-(2,3-dihydro-2-methoxycarbonylbenzofuran-5-yl)-N4-(2,6-dimethoxypyridin-3-yl)-5-fluoro-2,4-pyrimidinediamine

생성물 1

HCID 22060644(+)-N4-(2,6-dimethoxypyridin-3-yl)-N2-[2,3-dihydro-2-(N-methylamino)carbonylbenzofuran-5-yl]-5-fluoro-2,4-pyrimidinediamine

출처 및 근거

ORD 기록: ord-64a4c46ab46e42d498290c1db9815b22
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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