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Hydrochloric Acid → HCID 178435525, 화합물

HRID 690194
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HRID 690194 반응식
[C:42](=[O:43])([OH:44])[O-:45].[CH2:24]([CH3:25])[CH:26]1[CH2:27][CH2:28][c:29]2[cH:30][cH:31][c:32]([N:35]3[N:36]=[C:37]([CH3:41])[CH2:38][C:39]3=[O:40])[cH:33][c:34]21.[CH3:48][CH2:49][OH:50].[ClH:1].[ClH:47].[N:20]([O-:21])=[O:22].[NH2:2][c:3]1[c:4]([OH:19])[c:5](-[c:10]2[cH:11][c:12]([C:16](=[O:17])[OH:18])[cH:13][cH:14][cH:15]2)[cH:6][c:7]([CH3:9])[cH:8]1.[Na+:23].[Na+:46]>>[NH:2]([c:3]1[c:4]([OH:19])[c:5](-[c:10]2[cH:11][c:12]([C:16](=[O:17])[OH:18])[cH:13][cH:14][cH:15]2)[cH:6][c:7]([CH3:9])[cH:8]1)[N:20]=[C:38]1[C:37]([CH3:41])=[N:36][N:35]([c:32]2[cH:31][cH:30][c:29]3[c:34]([cH:33]2)[CH:26]([CH2:24][CH3:25])[CH2:27][CH2:28]3)[C:39]1=[O:40]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 946NitriteHCID 210723043-(3-Amino-2-hydroxy-5-methylphenyl)benzoic acidHCID 574837832-(3-Ethyl-indan-5-yl)-5-methyl-2,4-dihydro-pyrazol-3-one

생성물 1

HCID 178435525HCID 178435525, 화합물

출처 및 근거

ORD 기록
ord-8438abdcd26d416b9f9c4330c9d22fa0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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