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Hydrochloric Acid → HCID 178433841, 화합물

HRID 1566802
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HRID 1566802 반응식
[C:42](=[O:43])([OH:44])[O-:45].[CH3:24][C:25]1([CH3:41])[CH2:26][CH2:27][c:28]2[cH:29][cH:30][c:31]([N:34]3[N:35]=[C:36]([CH3:40])[CH2:37][C:38]3=[O:39])[cH:32][c:33]21.[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:37]1[C:36]([CH3:40])=[N:35][N:34]([c:31]2[cH:30][cH:29][c:28]3[c:33]([cH:32]2)[C:25]([CH3:24])([CH3:41])[CH2:26][CH2:27]3)[C:38]1=[O:39]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric Acid2회HCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 946NitriteHCID 210723043-(3-Amino-2-hydroxy-5-methylphenyl)benzoic acidHCID 510369942-(3,3-Dimethyl-indan-5-yl)-5-methyl-2,4-dihydro-pyrazol-3-one

생성물 1

HCID 178433841
HCID 178433841, 화합물

출처 및 근거

ORD 기록
ord-e666cd04775e4c1b855e0f7bed0d200c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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