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

HRID 139559
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반응식

HRID 139559 반응식
[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl-:43].[Cl:31][CH2:32][C:33](=[O:34])[Cl:35].[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+:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]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:33]([CH2:32][Cl:31])=[O:34]
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반응물 6

HCID 223AmmoniumHCID 312ChlorideHCID 6577Chloroacetyl chlorideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 57385788N-{3-[(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide

생성물 1

HCID 57505744
N-[3-({2-[(chloroacetyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-3-(trifluoromethyl)benzamide

출처 및 근거

ORD 기록
ord-a8b56af6dad04560890c8b534adb2cc0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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