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Dimethyl Sulfoxide → 4-methyl-N-[6-(3-{[3-(trifluoromethyl)benzoyl]amino}phenoxy)imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide

HRID 200657
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HRID 200657 반응식
[CH3:39][N:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1.[CH3:56][S:57](=[O:58])[CH3:59].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([O:12][c:13]3[cH:14][cH:15][c:16]4[n:17]([n:18]3)[cH:19][c:20]([NH:22][C:23]([O:24][CH2:25][C:26]([Cl:27])([Cl:28])[Cl:29])=[O:30])[n:21]4)[cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36]1)([F:37])[F:38]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([O:12][c:13]3[cH:14][cH:15][c:16]4[n:17]([n:18]3)[cH:19][c:20]([NH:22][C:23](=[O:30])[N:43]3[CH2:42][CH2:41][N:40]([CH3:39])[CH2:45][CH2:44]3)[n:21]4)[cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36]1)([F:37])[F:38]
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5

반응물 4

HCID 679Dimethyl SulfoxideHCID 531671-MethylpiperazineHCID 61924TriisopropylamineHCID 575057352,2,2-Trichloroethyl[6-(3-{[3-(trifluoromethyl)benzoyl]amino}phenoxy)imidazo[1,2-b]pyridazin-2-yl]carbamate

생성물 1

HCID 575057374-methyl-N-[6-(3-{[3-(trifluoromethyl)benzoyl]amino}phenoxy)imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide

출처 및 근거

ORD 기록
ord-69397e8bdcbc473ab8a85ec625be648e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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