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Hydrochloric Acid → 3-[2-[4-[[4-(2-methoxyiminopropyl)-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one

HRID 109870
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HRID 109870 반응식
[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6]([CH2:33][C:34]([CH3:35])=[O:36])[c:7](=[O:32])[c:8]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21](-[c:26]5[n:27][o:28][c:29](=[O:31])[nH:30]5)[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:9]2[CH2:10][CH2:11][CH3:12])[n:37]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[ClH:38].[ClH:48].[NH2:39][O:40][CH3:41].[OH2:49].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6]([CH2:33][C:34]([CH3:35])=[N:39][O:40][CH3:41])[c:7](=[O:32])[c:8]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21](-[c:26]5[n:27][o:28][c:29](=[O:31])[nH:30]5)[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:9]2[CH2:10][CH2:11][CH3:12])[n:37]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 1049PyridineHCID 4113O-MethylhydroxylamineHCID 8857Ethyl AcetateHCID 1360636782-methyl-6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-4-(2-oxopropyl)-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

생성물 1

HCID 136659638
3-[2-[4-[[4-(2-methoxyiminopropyl)-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one

출처 및 근거

ORD 기록
ord-2cf6bc7fd94a4168b32098ffb710e2b1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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