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Hydrochloric Acid → 6-[3-(4-Chloro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-N-(2,2,2-trifluoro-ethyl)-nicotinamide

HRID 162961
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HRID 162961 반응식
[CH2:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH:48]([CH3:49])[CH3:50])[CH3:51].[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:53][N:54]([CH3:55])[CH2:56][CH2:57][CH2:58][N:59]=[C:60]=[N:61][CH2:62][CH3:63].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH2:24][OH:25])[c:12]2[CH2:13][O:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[cH:6][cH:7]1.[ClH:52].[F:26][C:27]([CH2:28][NH2:29])([F:30])[F:31].[OH2:32].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH2:24][OH:25])[c:12]2[CH2:13][O:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:21])[NH:29][CH2:28][C:27]([F:26])([F:30])[F:31])[cH:22][cH:23]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 9773Ethanamine, 2,2,2-trifluoro-HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531Diisopropylethylamine
HCID 66718132
6-[3-(4-Chloro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-nicotinic acid

생성물 1

HCID 469287666-[3-(4-Chloro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-N-(2,2,2-trifluoro-ethyl)-nicotinamide

출처 및 근거

ORD 기록
ord-e3d2cf9fff124e37bb43b5ca014b7244
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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