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Hydrochloric Acid → [7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(2-methyl-benzoxazol-5-yl)-amine

HRID 681028
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HRID 681028 반응식
[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]3[cH:13][n:14][c:15]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])[n:16][n:17]23)[cH:5][cH:6][cH:7][cH:8]1.[CH3:26][c:27]1[o:28][c:29]2[c:30]([n:31]1)[cH:32][c:33]([NH2:36])[cH:34][cH:35]2.[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].[ClH:37]>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]3[cH:13][n:14][c:15]([NH:36][c:33]4[cH:32][c:30]5[c:29]([o:28][c:27]([CH3:26])[n:31]5)[cH:35][cH:34]4)[n:16][n:17]23)[cH:5][cH:6][cH:7][cH:8]1
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반응물 5

HCID 313Hydrochloric AcidHCID 79001-Methoxy-2-propanolHCID 81531DiisopropylethylamineHCID 7379202-Methyl-1,3-benzoxazol-5-amineHCID 86661678Trifluoro-methanesulfonic acid 7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl ester

생성물 1

HCID 46852670
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(2-methyl-benzoxazol-5-yl)-amine

출처 및 근거

ORD 기록
ord-78d00c3cc89648eb9ac08b13e769e9dd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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