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Hydrochloric Acid → N-[4-chloro-2-(hydroxyiminomethyl)-5-[4-[3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]phenyl]-4-(dimethylamino)benzamide

HRID 119330
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HRID 119330 반응식
[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:59][OH:60].[Cl:1][c:2]1[cH:3][c:4]([CH:42]=[O:43])[c:5]([NH:30][C:31]([c:32]2[cH:33][cH:34][c:35]([N:38]([CH3:39])[CH3:40])[cH:36][cH:37]2)=[O:41])[cH:6][c:7]1[N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]2[c:17](-[c:22]3[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]3)[n:18][o:19][c:20]2[CH3:21])[CH2:12][CH2:13]1.[Cl:61][CH2:62][Cl:63].[ClH:44].[NH2:45][OH:46].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[Cl:1][c:2]1[cH:3][c:4]([CH:42]=[N:45][OH:46])[c:5]([NH:30][C:31]([c:32]2[cH:33][cH:34][c:35]([N:38]([CH3:39])[CH3:40])[cH:36][cH:37]2)=[O:41])[cH:6][c:7]1[N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]2[c:17](-[c:22]3[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]3)[n:18][o:19][c:20]2[CH3:21])[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 887MethanolHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 86670897N-(4-chloro-2-formyl-5-(4-(3-(2-methoxyphenyl)-5-methylisoxazole-4-carbonyl)piperazin-1-yl)phenyl)-4-(dimethylamino)benzamide

생성물 1

HCID 173467381N-[4-chloro-2-(hydroxyiminomethyl)-5-[4-[3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]phenyl]-4-(dimethylamino)benzamide

출처 및 근거

ORD 기록
ord-4b26c342743c4ef98605c40b1b7c424f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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