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Hydrochloric Acid → 3-[3-[[6,6-Dimethylhept-2-en-4-ynyl(ethyl)amino]methyl]phenyl]prop-2-enoic acid

HRID 301467
Notes
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Reaction equation

HRID 301467 reaction equation
[CH2:1]([CH3:2])[N:3]([CH2:4][CH:5]=[CH:6][C:7]#[C:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:13][c:14]1[cH:15][c:16]([CH:17]=[CH:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:24][cH:25][cH:26]1.[CH2:38]([NH:39][CH2:40][CH:41]=[CH:42][C:43]#[C:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH3:49].[CH2:60]([NH:61][CH2:62][CH:63]=[CH:64][C:65]#[C:66][C:67]([O:68][CH3:69])([CH3:70])[CH3:71])[CH3:72].[ClH:37].[ClH:59].[K+:74].[OH-:73].[OH:27][CH2:28][c:29]1[cH:30][c:31]([CH:35]=[O:36])[cH:32][cH:33][cH:34]1.[OH:50][CH2:51][c:52]1[o:53][c:54]([CH:55]=[O:56])[cH:57][cH:58]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH:5]=[CH:6][C:7]#[C:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:13][c:14]1[cH:15][c:16]([CH:17]=[CH:18][C:19](=[O:20])[OH:21])[cH:24][cH:25][cH:26]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 813Potassium CationHCID 961HydroxideHCID 2373325-(Hydroxymethyl)furfuralHCID 131314553-(Hydroxymethyl)benzaldehydeHCID 54033427N-ethyl-6-methoxy-6-methylhept-2-en-4-yn-1-amine
HCID 54123930
Ethyl 3-[3-[[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]methyl]phenyl]prop-2-enoate
HCID 54127829N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine

Product 1

HCID 1733480533-[3-[[6,6-Dimethylhept-2-en-4-ynyl(ethyl)amino]methyl]phenyl]prop-2-enoic acid

Sources & evidence

ORD record
ord-9d4b7a41629b494abeccd4fd61e95da7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes