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Hydrochloric Acid → 1-(2-Bromo-5-hydroxyphenyl)-7-(5-hydroxy-2-methoxyphenyl)hepta-1,6-diene-3,5-dione

HRID 175050
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HRID 175050 반응식
[B:28]([O:29][CH2:30][CH2:31][CH2:32][CH3:33])([O:34][CH2:35][CH2:36][CH2:37][CH3:38])[O:39][CH2:40][CH2:41][CH2:42][CH3:43].[Br:1][c:2]1[c:3]([CH:9]=[CH:10][C:11]([CH2:12][C:13]([CH3:14])=[O:15])=[O:16])[cH:4][c:5]([OH:8])[cH:6][cH:7]1.[CH2:44]([NH2:45])[CH2:46][CH2:47][CH3:48].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[ClH:49].[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[OH:17][c:18]1[cH:19][cH:20][c:21]([O:26][CH3:27])[c:22]([CH:23]=[O:24])[cH:25]1>>[Br:1][c:2]1[c:3]([CH:9]=[CH:10][C:11]([CH2:12][C:13]([CH:14]=[CH:23][c:22]2[c:21]([O:26][CH3:27])[cH:20][cH:19][c:18]([OH:17])[cH:25]2)=[O:15])=[O:16])[cH:4][c:5]([OH:8])[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 8007ButylamineHCID 8857Ethyl AcetateHCID 12712Tributyl borateHCID 3583415-Hydroxy-2-Methoxybenzaldehyde
HCID 67106826
6-(2-Bromo-5-hydroxyphenyl)hex-5-ene-2,4-dione

생성물 1

HCID 671062111-(2-Bromo-5-hydroxyphenyl)-7-(5-hydroxy-2-methoxyphenyl)hepta-1,6-diene-3,5-dione

출처 및 근거

ORD 기록
ord-94ad413651ab4c13baa5401b8209fa22
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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