(2-Aminophenyl)(pyrrolidin-1-yl)methanone → Diethyl (4-{[4-{[2-(pyrrolidin-1-ylcarbonyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

반응식

[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][cH:12][c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[c:21]([Cl:23])[n:22]2)[cH:14][cH:15]1.[N:28]1([C:33](=[O:34])[c:35]2[c:36]([NH2:37])[cH:38][cH:39][cH:40][cH:41]2)[CH2:29][CH2:30][CH2:31][CH2:32]1>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][cH:12][c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[c:21]([NH:37][c:36]3[c:35]([C:33]([N:28]4[CH2:29][CH2:30][CH2:31][CH2:32]4)=[O:34])[cH:41][cH:40][cH:39][cH:38]3)[n:22]2)[cH:14][cH:15]1

참가 물질

반응물 2

HCID 713136(2-Aminophenyl)(pyrrolidin-1-yl)methanone

HCID 86654003Diethyl (4-{[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

생성물 1

HCID 58292992Diethyl (4-{[4-{[2-(pyrrolidin-1-ylcarbonyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

출처 및 근거

ORD 기록: ord-853be59fb87d4557996b61b627a174f5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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