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Hydrochloric Acid → Hydrochloric Acid

HRID 179289
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HRID 179289 반응식
[Al+3:45].[CH3:37][CH:38]([OH:39])[CH3:40].[CH3:41][CH:42]([CH3:43])[O-:44].[CH3:46][CH:47]([CH3:48])[O-:49].[CH3:50][CH:51]([CH3:52])[O-:53].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[ClH:1].[NH2:2][CH:3]([CH3:4])[CH:5]([c:6]1[cH:7][cH:8][c:9]([S:10][CH3:11])[cH:12][cH:13]1)[OH:14].[O:15]1[CH2:16][CH2:17][O:18][c:19]2[c:20]1[cH:21][cH:22][c:23]([CH:25]([CH:26]([CH3:27])[NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[OH:36])[cH:24]2>>[ClH:1].[O:15]1[CH2:16][CH2:17][O:18][c:19]2[c:20]1[cH:21][cH:22][c:23]([CH:25]([CH:26]([CH3:27])[NH2:28])[OH:36])[cH:24]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 7

HCID 313Hydrochloric AcidHCID 1140TolueneHCID 3776IsopropanolHCID 104727Aluminum CationHCID 3260420Isopropanolate3회HCID 431315212-Amino-1-(4-methylsulfanylphenyl)propan-1-olHCID 72258737tert-butyl (1R,2S)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-hydroxypropan-2-ylcarbonate

생성물 2

HCID 313Hydrochloric AcidHCID 431449702-Amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propan-1-ol

출처 및 근거

ORD 기록
ord-da135e37558c47e385e1707e69318054
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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