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Hydrochloric Acid → 5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-({2-[(3-hydroxyazetidin-1-yl)carbonyl]imidazo[1,2-b]pyridazin-6-yl}amino)thiophene-3-carboxamide

HRID 668026
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HRID 668026 반응식
[CH3:36][Al:37]([CH3:38])[CH3:39].[ClH:40].[NH2:1][C:2](=[O:3])[c:4]1[c:5]([NH:21][c:22]2[cH:23][cH:24][c:25]3[n:26]([n:27]2)[cH:28][c:29]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[n:30]3)[s:6][c:7](-[c:9]2[c:10]([F:20])[cH:11][c:12]([C:16]([CH3:17])([CH3:18])[OH:19])[cH:13][c:14]2[F:15])[cH:8]1.[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH:41][CH:42]1[CH2:43][NH:44][CH2:45]1>>[NH2:1][C:2](=[O:3])[c:4]1[c:5]([NH:21][c:22]2[cH:23][cH:24][c:25]3[n:26]([n:27]2)[cH:28][c:29]([C:31](=[O:32])[N:44]2[CH2:43][CH:42]([OH:41])[CH2:45]2)[n:30]3)[s:6][c:7](-[c:9]2[c:10]([F:20])[cH:11][c:12]([C:16]([CH3:17])([CH3:18])[OH:19])[cH:13][c:14]2[F:15])[cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 15142903-HydroxyazetidineHCID 16682925TrimethylaluminumHCID 58216619Ethyl 6-({3-(aminocarbonyl)-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)imidazo[1,2-b]pyridazine-2-carboxylate

생성물 1

HCID 44552737
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-({2-[(3-hydroxyazetidin-1-yl)carbonyl]imidazo[1,2-b]pyridazin-6-yl}amino)thiophene-3-carboxamide

출처 및 근거

ORD 기록
ord-42ef2c32d36847e0af3896e0fbf794b4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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