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Hydrochloric Acid → 4-(3-(6-(trifluoromethyl)pyridin-3-yloxy)benzylidene)-N-(pyridazin-3-yl)piperidine-1-carboxamide

HRID 1134688
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HRID 1134688 반응식
[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:50][S:51](=[O:52])[CH3:53].[ClH:1].[NH:2]1[CH2:3][CH2:4][C:5](=[CH:8][c:9]2[cH:10][c:11]([O:12][c:13]3[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[n:17][cH:18]3)[cH:23][cH:24][cH:25]2)[CH2:6][CH2:7]1.[OH2:49].[n:26]1[n:27][c:28]([NH:32][C:33]([O:34][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:35])[cH:29][cH:30][cH:31]1>>[N:2]1([C:33]([NH:32][c:28]2[n:27][n:26][cH:31][cH:30][cH:29]2)=[O:34])[CH2:3][CH2:4][C:5](=[CH:8][c:9]2[cH:10][c:11]([O:12][c:13]3[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[n:17][cH:18]3)[cH:23][cH:24][cH:25]2)[CH2:6][CH2:7]1
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참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 8471TriethylamineHCID 20150036Phenyl pyridazin-3-ylcarbamateHCID 668761655-[3-(Piperidin-4-ylidenemethyl)phenoxy]-2-(trifluoromethyl)pyridine

생성물 1

HCID 24965144
4-(3-(6-(trifluoromethyl)pyridin-3-yloxy)benzylidene)-N-(pyridazin-3-yl)piperidine-1-carboxamide

출처 및 근거

ORD 기록
ord-f8ef41fc045048cbb3c29681cb1ebfdf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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