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Hydrochloric Acid → PF 04457845

HRID 161040
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HRID 161040 반응식
[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][C:53]#[N:54].[ClH:1].[NH2:38][c:39]1[n:40][n:41][cH:42][cH:43][cH:44]1.[NH:2]1[CH2:3][CH2:4][C:5](=[CH:8][c:9]2[cH:10][c:11]([O:12][c:13]3[n:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]3)[cH:23][cH:24][cH:25]2)[CH2:6][CH2:7]1.[n:26]1[n:27][c:28]([NH:32][C:33]([O:34][CH2:36][CH3:37])=[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[n:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]3)[cH:23][cH:24][cH:25]2)[CH2:6][CH2:7]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 230373AminopyridazineHCID 12680056Ethyl pyridazin-3-ylcarbamateHCID 668761622-(3-(Piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridine

생성물 1

HCID 24771824
PF 04457845

출처 및 근거

ORD 기록
ord-954032bfb8bb48a785d521ed1c76deed
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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