Trifluoroacetic acid → N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-2-pyridinyl]-5-fluoroquinolin-7-amine

반응식

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:34][c:35]4[cH:36][c:37]([F:45])[c:38]5[cH:39][cH:40][cH:41][n:42][c:43]5[cH:44]4)[n:18][cH:19][c:20]([CH:22]([CH3:23])[N:24]4[CH2:25][CH2:26][N:27]([S:30](=[O:31])(=[O:32])[CH3:33])[CH2:28][CH2:29]4)[cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:46][c:47]2[cH:48][cH:49][c:50]([O:51][CH3:52])[cH:53][cH:54]2)[cH:55][cH:56]1.[OH:57][C:58]([C:59]([F:60])([F:61])[F:62])=[O:63]>>[NH2:8][c:9]1[n:10][c:11](-[c:16]2[c:17]([NH:34][c:35]3[cH:36][c:37]([F:45])[c:38]4[cH:39][cH:40][cH:41][n:42][c:43]4[cH:44]3)[n:18][cH:19][c:20]([CH:22]([CH3:23])[N:24]3[CH2:25][CH2:26][N:27]([S:30](=[O:31])(=[O:32])[CH3:33])[CH2:28][CH2:29]3)[cH:21]2)[n:12][c:13]([CH3:15])[n:14]1

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 66611413HCID 66611413, 화합물

생성물 1

HCID 66611070N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-2-pyridinyl]-5-fluoroquinolin-7-amine

출처 및 근거

ORD 기록: ord-227c9a3cc1744214b138ab2a49fef746
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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