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Hydrochloric Acid → Hydrochloric Acid

HRID 179819
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HRID 179819 반응식
[Br:40][c:41]1[cH:42][cH:43][cH:44][c:45]([OH:46])[c:47]1[CH3:48].[C:36]([BH3-:37])#[N:38].[CH3:17][C:18]([CH2:19][OH:20])([CH2:21][OH:22])[NH2:23].[CH3:50][CH2:51][OH:52].[CH3:53][CH2:54][O:55][CH2:56][CH3:57].[ClH:49].[Na+:39].[OH2:35].[OH2:58].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1.[cH:1]1[cH:2][cH:3][cH:4][c:5]2[cH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[c:13]([CH:15]=[O:16])[c:14]12>>[ClH:49].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[cH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[c:13]([CH2:15][NH:23][C:18]([CH3:17])([CH2:19][OH:20])[CH2:21][OH:22])[c:14]12
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 10

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium IonHCID 962Water2회HCID 15312-Amino-2-methyl-1,3-propanediolHCID 3283Diethyl EtherHCID 6101p-Toluenesulfonic acidHCID 69504
9-Anthracenecarboxaldehyde
HCID 498716Cyano-borohydride
HCID 111714303-Bromo-2-methylphenol

생성물 2

HCID 313Hydrochloric AcidHCID 133752792-(Anthracen-9-ylmethylamino)-2-methylpropane-1,3-diol

출처 및 근거

ORD 기록
ord-39541b72141943e8bf4809280405dea3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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