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Acetate → 4-[[4-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-4-phenylbutanamide

HRID 2340876
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HRID 2340876 반응식
[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][O:20][NH2:21])[cH:22][cH:23]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:37][C:38](=[O:39])[OH:40].[CH3:42][C:43](=[O:44])[O-:45].[CH3:47][CH2:48][OH:49].[Na+:41].[O:24]=[C:25]([CH2:26][CH2:27][C:28](=[O:29])[NH2:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[OH2:46]>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][O:20][N:21]=[C:25]([CH2:26][CH2:27][C:28](=[O:29])[NH2:30])[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:22][cH:23]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 175AcetateHCID 176Acetic AcidHCID 702EthanolHCID 923Sodium IonHCID 962WaterHCID 5200224-Oxo-4-phenylbutanamideHCID 223445934-(5-Methyl-2-phenyl4-oxazolylmethoxy)benzyloxyamine

생성물 1

HCID 54417599
4-[[4-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-4-phenylbutanamide

출처 및 근거

ORD 기록
ord-5ce895d17945402c812430b5718c910f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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