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Ammonium → N-[3-({2-[(cyclobutylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-3-(trifluoromethyl)benzamide

HRID 697285
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반응식

HRID 697285 반응식
[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH:38]1([C:42](=[O:43])[Cl:44])[CH2:39][CH2:40][CH2:41]1.[Cl-:45].[NH2:1][c:2]1[n:3][c:4]2[n:5]([n:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18]([c:19]4[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]4)=[O:29])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:30]1.[NH4+:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[NH:1]([c:2]1[n:3][c:4]2[n:5]([n:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18]([c:19]4[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]4)=[O:29])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:30]1)[C:42]([CH:38]1[CH2:39][CH2:40][CH2:41]1)=[O:43]
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반응물 6

HCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 78705Cyclobutanecarbonyl chlorideHCID 57385788N-{3-[(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide

생성물 1

HCID 57386316
N-[3-({2-[(cyclobutylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-3-(trifluoromethyl)benzamide

출처 및 근거

ORD 기록
ord-3bcce908699d4885b1f16679170ad953
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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