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1-Methoxy-2-propanol → N-Methyl-N-{2-[2-(3-morpholin-4-yl-phenylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-methanesulfonamide

HRID 188101
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HRID 188101 반응식
[CH3:14][S:15](=[O:16])[c:17]1[n:18][n:19]2[c:20]([cH:21][n:22]1)[cH:23][cH:24][c:25]2-[c:26]1[c:27]([N:32]([S:33](=[O:34])(=[O:35])[CH3:36])[CH3:37])[cH:28][cH:29][cH:30][cH:31]1.[CH3:47][O:48][CH2:49][CH:50]([OH:51])[CH3:52].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][c:9]([NH2:13])[cH:10][cH:11][cH:12]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][c:9]([NH:13][c:17]3[n:18][n:19]4[c:20]([cH:21][n:22]3)[cH:23][cH:24][c:25]4-[c:26]3[c:27]([N:32]([S:33](=[O:34])(=[O:35])[CH3:36])[CH3:37])[cH:28][cH:29][cH:30][cH:31]3)[cH:10][cH:11][cH:12]2)[CH2:5][CH2:6]1
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반응물 4

HCID 79001-Methoxy-2-propanolHCID 81531DiisopropylethylamineHCID 8477683-(Morpholin-4-yl)anilineHCID 54577677N-[2-(2-M ethanesulfinyl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenyl]-N-methyl-methanesulfonamide

생성물 1

HCID 66711416N-Methyl-N-{2-[2-(3-morpholin-4-yl-phenylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-methanesulfonamide

출처 및 근거

ORD 기록
ord-e826321c8f774e8289b4813caede2417
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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