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Ethylene Glycol → (4-Morpholin-4-yl-phenyl)-[7-(pyridin-4-ylsulfanyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-amine

HRID 1128000
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반응식

HRID 1128000 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:11][c:12]3[cH:13][cH:14][c:15]([N:18]4[CH2:19][CH2:20][O:21][CH2:22][CH2:23]4)[cH:16][cH:17]3)[n:9][n:10]12.[CH2:30]([OH:31])[CH2:32][OH:33].[CH3:24][C:25]([CH3:26])([O-:27])[CH3:28].[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[Cu:46][I:47].[Na+:29].[n:39]1[cH:40][cH:41][c:42]([SH:45])[cH:43][cH:44]1>>[c:2]1([S:45][c:42]2[cH:41][cH:40][n:39][cH:44][cH:43]2)[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:11][c:12]3[cH:13][cH:14][c:15]([N:18]4[CH2:19][CH2:20][O:21][CH2:22][CH2:23]4)[cH:16][cH:17]3)[n:9][n:10]12
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참가 물질

8

반응물 7

HCID 174Ethylene GlycolHCID 923Sodium IonHCID 6228DimethylformamideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 45749132-Methylpropan-2-olateHCID 54578326(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-(4-morpholin-4-yl-phenyl)-amineHCID 178418431
pyridine-4-thiol

생성물 1

HCID 66711749(4-Morpholin-4-yl-phenyl)-[7-(pyridin-4-ylsulfanyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-amine

출처 및 근거

ORD 기록
ord-9677471189ad45c9a27d0cf12986e036
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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