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tert-Butanol → N-Methyl-N-{2-[2-(5-morpholin-4-yl-pyridin-2-ylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-methanesulfonamide

HRID 156708
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HRID 156708 반응식
[C:49]([OH:50])([CH3:51])([CH3:52])[CH3:53].[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.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cs+:39].[F-:38].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([NH2:13])[n:11][cH:12]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([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)[n:11][cH:12]2)[CH2:5][CH2:6]1
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HCID 6386tert-ButanolHCID 28179Fluoride IonHCID 81531DiisopropylethylamineHCID 104967Cesium cationHCID 113673465-Morpholinopyridin-2-amineHCID 54577677N-[2-(2-M ethanesulfinyl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenyl]-N-methyl-methanesulfonamide

생성물 1

HCID 66712525
N-Methyl-N-{2-[2-(5-morpholin-4-yl-pyridin-2-ylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-methanesulfonamide

출처 및 근거

ORD 기록
ord-2450865b59ac43a09b6a9cf24985af47
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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