Trifluoroacetic acid → N4-(Benzimidazolin-2-on-5-yl)-N2-[2-(4-methylpiperazin-1-yl)pyridin-5-yl]-5-fluoropyrimidine-2,4-diamine

HRID 671999

반응식

HRID 671999 반응식
[CH3:20][N:21]1[CH2:22][CH2:23][N:24]([c:27]2[cH:28][cH:29][c:30]([NH2:33])[cH:31][n:32]2)[CH2:25][CH2:26]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([F:19])[c:6]([NH:8][c:9]2[cH:10][c:11]3[c:12]([nH:13][c:14](=[O:16])[nH:15]3)[cH:17][cH:18]2)[n:7]1.[F:34][C:35]([F:36])([F:37])[C:38]([OH:39])=[O:40]>>[c:2]1([NH:33][c:30]2[cH:29][cH:28][c:27]([N:24]3[CH2:23][CH2:22][N:21]([CH3:20])[CH2:26][CH2:25]3)[n:32][cH:31]2)[n:3][cH:4][c:5]([F:19])[c:6]([NH:8][c:9]2[cH:10][c:11]3[c:12]([nH:13][c:14](=[O:16])[nH:15]3)[cH:17][cH:18]2)[n:7]1

참가 물질

4

반응물 3

HCID 6422Trifluoroacetic acidHCID 27633906-(4-Methylpiperazin-1-yl)pyridin-3-amineHCID 866436435-(2-Chloro-5-fluoropyrimidin-4-ylamino)-1H-benzo[d]imidazol-2(3H)-one

생성물 1

HCID 66659567N4-(Benzimidazolin-2-on-5-yl)-N2-[2-(4-methylpiperazin-1-yl)pyridin-5-yl]-5-fluoropyrimidine-2,4-diamine

출처 및 근거

ORD 기록
ord-5126004de23540dbb6cadd0da52e2461
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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