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Hydrochloric Acid → N-[4-chloro-5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-3-(trifluoromethyl)benzamide

HRID 96544
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HRID 96544 반응식
[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[ClH:49].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([n:11]2)[cH:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[c:21]([Cl:25])[cH:22][c:23]1[F:24].[OH:26][C:27](=[O:28])[c:29]1[cH:30][cH:31][cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1.[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([n:11]2)[cH:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[c:21]([Cl:25])[cH:22][c:23]1[F:24])[C:27](=[O:26])[c:29]1[cH:30][cH:31][cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1
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참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 99633-(Trifluoromethyl)benzoic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 57505449N-[6-(3-amino-6-chloro-4-fluorophenoxy)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

생성물 1

HCID 57505448
N-[4-chloro-5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-3-(trifluoromethyl)benzamide

출처 및 근거

ORD 기록
ord-e6facecb5760447ba9b8a8e6647dec4a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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