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Dimethyl Sulfoxide → [2-Methoxy-4-(4-morpholin-4-yl-piperidin-1-yl)-phenyl]-(7-pyrazol-1-yl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-amine

HRID 2144120
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HRID 2144120 반응식
[CH3:1][O:2][c:3]1[c:4]([NH2:21])[cH:5][cH:6][c:7]([N:9]2[CH2:10][CH2:11][CH:12]([N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[CH2:13][CH2:14]2)[cH:8]1.[CH3:22][S:23](=[O:24])[c:25]1[n:26][n:27]2[c:28]([cH:29][n:30]1)[cH:31][cH:32][c:33]2-[n:34]1[n:35][cH:36][cH:37][cH:38]1.[CH3:48][O:49][CH2:50][CH:51]([OH:52])[CH3:53].[CH3:54][S:55]([CH3:56])=[O:57].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47]>>[CH3:1][O:2][c:3]1[c:4]([NH:21][c:25]2[n:26][n:27]3[c:28]([cH:29][n:30]2)[cH:31][cH:32][c:33]3-[n:34]2[n:35][cH:36][cH:37][cH:38]2)[cH:5][cH:6][c:7]([N:9]2[CH2:10][CH2:11][CH:12]([N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[CH2:13][CH2:14]2)[cH:8]1
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반응물 5

HCID 679Dimethyl SulfoxideHCID 79001-Methoxy-2-propanolHCID 81531DiisopropylethylamineHCID 574161382-(Methanesulfinyl)-7-(1H-pyrazol-1-yl)pyrrolo[2,1-f][1,2,4]triazineHCID 574161442-(Methyloxy)-4-[4-(4-morpholinyl)-1-piperidinyl]aniline

생성물 1

HCID 66712126
[2-Methoxy-4-(4-morpholin-4-yl-piperidin-1-yl)-phenyl]-(7-pyrazol-1-yl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-amine

출처 및 근거

ORD 기록
ord-bb07362a490c4224955781d798b5bb18
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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