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Hydrogen Bromide → HCID 178433828, 화합물

HRID 169124
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HRID 169124 반응식
[BrH:1].[C:40](=[O:41])([OH:42])[O-:43].[CH3:23][C:24]1=[N:28][N:27]([c:29]2[cH:30][c:31]3[c:36]([cH:37][cH:38]2)[CH2:35][CH2:34][CH2:33][CH2:32]3)[C:26](=[O:39])[CH2:25]1.[CH3:46][CH2:47][OH:48].[ClH:45].[N:19]([O-:20])=[O:21].[NH2:2][c:3]1[c:4]([OH:18])[c:5](-[c:10]2[cH:11][cH:12][c:13]([C:15](=[O:16])[OH:17])[s:14]2)[cH:6][c:7]([CH3:9])[cH:8]1.[Na+:22].[Na+:44]>>[NH:2]([c:3]1[c:4]([OH:18])[c:5](-[c:10]2[cH:11][cH:12][c:13]([C:15](=[O:16])[OH:17])[s:14]2)[cH:6][c:7]([CH3:9])[cH:8]1)[N:19]=[C:25]1[C:24]([CH3:23])=[N:28][N:27]([c:29]2[cH:30][c:31]3[c:36]([cH:37][cH:38]2)[CH2:35][CH2:34][CH2:33][CH2:32]3)[C:26]1=[O:39]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 260Hydrogen BromideHCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 946NitriteHCID 510365803-Methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5(4H)-one
HCID 57483822
5-(3-Amino-2-hydroxy-5-methylphenyl)thiophene-2-carboxylic acid

생성물 1

HCID 178433828HCID 178433828, 화합물

출처 및 근거

ORD 기록
ord-2273d75b23ef4a459778b9ce6ad68bef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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