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Diethyl Ether → N-{2-[2-(2-Methoxy-4-morpholin-4-ylmethyl-phenylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-N-methyl-methanesulfonamide

HRID 173061
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HRID 173061 반응식
[CH3:1][S:2](=[O:3])(=[O:4])[N:5]([c:6]1[c:7](-[c:12]2[cH:13][cH:14][c:15]3[cH:16][n:17][c:18]([O:21][S:22]([C:23]([F:24])([F:25])[F:26])(=[O:27])=[O:28])[n:19][n:20]23)[cH:8][cH:9][cH:10][cH:11]1)[CH3:29].[CH3:30][O:31][c:32]1[c:33]([NH2:45])[cH:34][cH:35][c:36]([CH2:38][N:39]2[CH2:40][CH2:41][O:42][CH2:43][CH2:44]2)[cH:37]1.[CH3:55][O:56][CH2:57][CH:58]([OH:59])[CH3:60].[CH3:61][CH2:62][O:63][CH2:64][CH3:65].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54]>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]([c:6]1[c:7](-[c:12]2[cH:13][cH:14][c:15]3[cH:16][n:17][c:18]([NH:45][c:33]4[c:32]([O:31][CH3:30])[cH:37][c:36]([CH2:38][N:39]5[CH2:40][CH2:41][O:42][CH2:43][CH2:44]5)[cH:35][cH:34]4)[n:19][n:20]23)[cH:8][cH:9][cH:10][cH:11]1)[CH3:29]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 3283Diethyl EtherHCID 79001-Methoxy-2-propanolHCID 81531DiisopropylethylamineHCID 574160932-Methoxy-4-[(morpholin-4-yl)methyl]anilineHCID 86661681Trifluoro-methanesulfonic acid 7-[2-(methanesulfonyl-methyl-amino)-phenyl]-pyrrolo[2,1-f][1,2,4]triazin-2-yl ester

생성물 1

HCID 66712515
N-{2-[2-(2-Methoxy-4-morpholin-4-ylmethyl-phenylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-N-methyl-methanesulfonamide

출처 및 근거

ORD 기록
ord-991ea6475d564e9aa4d0a2e7d457060c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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