Dimethylformamide → N-tert-Butyl-3-{2-[4-(4-morpholin-4-yl-cyclohexyl)-phenylamino]-pyrrolo[2,1-f][1,2,4]triazin-7-yl}-benzenesulfonamide

HRID 312957

반응식

HRID 312957 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]3[cH:19][n:20][c:21]([OH:24])[n:22][n:23]23)[cH:12][cH:13][cH:14]1.[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[O:39]1[CH2:40][CH2:41][N:42]([CH:45]2[CH2:46][CH2:47][CH:48]([c:51]3[cH:52][cH:53][c:54]([NH2:57])[cH:55][cH:56]3)[CH2:49][CH2:50]2)[CH2:43][CH2:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]3[cH:19][n:20][c:21]([NH:57][c:54]4[cH:53][cH:52][c:51]([CH:48]5[CH2:47][CH2:46][CH:45]([N:42]6[CH2:41][CH2:40][O:39][CH2:44][CH2:43]6)[CH2:50][CH2:49]5)[cH:56][cH:55]4)[n:22][n:23]23)[cH:12][cH:13][cH:14]1

참가 물질

5

반응물 4

HCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 590114594-[4-(4-morpholinyl)cyclohexyl]BenzenamineHCID 178449976HCID 178449976, 화합물

생성물 1

HCID 66711231N-tert-Butyl-3-{2-[4-(4-morpholin-4-yl-cyclohexyl)-phenylamino]-pyrrolo[2,1-f][1,2,4]triazin-7-yl}-benzenesulfonamide

출처 및 근거

ORD 기록
ord-5c778bc466c44adba4c8e1709a26cb3e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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