2-Fluoropyridine → 5-nitro-N4-{[trans-4-(pyridin-2-ylamino)cyclohexyl]methyl}-N2-[2-(trifluoromethoxy)benzyl]pyrimidine-2,4-diamine

반응식

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

참가 물질

반응물 2

HCID 97462-Fluoropyridine

HCID 16202211N4-(4-amino-cyclohexylmethyl)-5-nitro-N2-(2-trifluoromethoxy-benzyl)-pyrimidine-2,4-diamine

생성물 1

HCID 578856095-nitro-N4-{[trans-4-(pyridin-2-ylamino)cyclohexyl]methyl}-N2-[2-(trifluoromethoxy)benzyl]pyrimidine-2,4-diamine

출처 및 근거

ORD 기록: ord-0a0839f857234ac786939fa9fc215c8f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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