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Hydrochloric Acid → 4-(2-((6-(2-((2,6-dichlorobenzyl)oxy)ethoxy)hexyl)aMino)-1-hydroxyethyl)-2-(hydroxyMethyl)phenol

HRID 112099
Notes
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Reaction equation

HRID 112099 reaction equation
[C:37](=[O:38])([OH:39])[O-:40].[CH3:45][CH2:46][OH:47].[Cl:2][c:3]1[c:4]([CH2:5][O:6][CH2:7][CH2:8][O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][NH:16][CH2:17][CH:18]([OH:19])[c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:31]2)[CH2:25][O:26][C:27]([CH3:29])([CH3:30])[O:28]3)[c:32]([Cl:36])[cH:33][cH:34][cH:35]1.[Cl:42][CH2:43][Cl:44].[ClH:1].[Na+:41]>>[Cl:2][c:3]1[c:4]([CH2:5][O:6][CH2:7][CH2:8][O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][NH:16][CH2:17][CH:18]([OH:19])[c:20]2[cH:21][cH:22][c:23]([OH:28])[c:24]([CH2:25][OH:26])[cH:31]2)[c:32]([Cl:36])[cH:33][cH:34][cH:35]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 752159032-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexylamino]-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol

Product 1

HCID 21880659
4-(2-((6-(2-((2,6-dichlorobenzyl)oxy)ethoxy)hexyl)aMino)-1-hydroxyethyl)-2-(hydroxyMethyl)phenol

Sources & evidence

ORD record
ord-b73f87dbc4274951897700e02e3fdd47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes