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Hydrochloric Acid → N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide

HRID 2154655
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HRID 2154655 반응식
[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:52][S:53](=[O:54])[CH3:55].[CH:26]1([c:29]2[n:30][n:31][c:32]([NH:34][C:35]([O:36][c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)=[O:37])[s:33]2)[CH2:27][CH2:28]1.[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[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.[OH2:51]>>[N:2]1([C:35]([NH:34][c:32]2[n:31][n:30][c:29]([CH:26]3[CH2:27][CH2:28]3)[s:33]2)=[O:36])[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
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HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 8471TriethylamineHCID 19227158Phenyl 5-cyclopropyl-1,3,4-thiadiazol-2-ylcarbamateHCID 668761622-(3-(Piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridine

생성물 1

HCID 24966197
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide

출처 및 근거

ORD 기록
ord-ce25242d34ce42d89b9eff17f096f7ef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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