2-chloro-N4-(3,4-difluoromethylenedioxyphenyl)-5-fluoro-4-pyrimidineamine → (+/-)-N2-(2,3-dihydro-2-methoxycarbonylbenzofuran-5-yl)-N4-(3,4-difluoromethylenedioxyphenyl)-5-fluoro-2,4-pyrimidinediamine

반응식

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

참가 물질

반응물 2

HCID 220602142-chloro-N4-(3,4-difluoromethylenedioxyphenyl)-5-fluoro-4-pyrimidineamine

HCID 22060823Methyl 5-amino-2,3-dihydrobenzofuran-2-carboxylate

생성물 1

HCID 22060965(+/-)-N2-(2,3-dihydro-2-methoxycarbonylbenzofuran-5-yl)-N4-(3,4-difluoromethylenedioxyphenyl)-5-fluoro-2,4-pyrimidinediamine

출처 및 근거

ORD 기록: ord-585a4d079f5a4e5b871263175bd06abe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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