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Hydrochloric Acid → N-{2-[4-(2-chloro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-4-[1,3,4]oxadiazol-2-yl-benzamide

HRID 1232930
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HRID 1232930 반응식
[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:45].[NH2:46][CH2:47][C:48](=[O:49])[N:50]1[CH2:51][CH2:52][CH:53]([O:56][c:57]2[c:58]([Cl:63])[cH:59][cH:60][cH:61][cH:62]2)[CH2:54][CH2:55]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:69].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1.[o:10]1[c:11](-[c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[n:12][n:13][cH:14]1>>[o:10]1[c:11](-[c:15]2[cH:16][cH:17][c:18]([C:19](=[O:21])[NH:46][CH2:47][C:48](=[O:49])[N:50]3[CH2:51][CH2:52][CH:53]([O:56][c:57]4[c:58]([Cl:63])[cH:59][cH:60][cH:61][cH:62]4)[CH2:54][CH2:55]3)[cH:22][cH:23]2)[n:12][n:13][cH:14]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 71310554-(1,3,4-oxadiazol-2-yl)benzoic Acid
HCID 59376277
2-Amino-1-[4-(2-chlorophenoxy)piperidin-1-yl]ethanone

생성물 1

HCID 57874515N-{2-[4-(2-chloro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-4-[1,3,4]oxadiazol-2-yl-benzamide

출처 및 근거

ORD 기록
ord-1fad6010cf9f4a84bba0ce520914507a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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