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Hydrochloric Acid → 3-[3-Butoxy-4-[3-(heptylcarbamoylamino)phenyl]phenyl]-2-methoxyprop-2-enoic acid

HRID 214654
Notes
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Reaction equation

HRID 214654 reaction equation
[CH2:3]([CH2:4][CH2:5][CH3:6])[O:7][c:8]1[c:9](-[c:22]2[cH:23][c:24]([NH:28][C:29](=[O:30])[NH:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[cH:25][cH:26][cH:27]2)[cH:10][cH:11][c:12]([CH:14]=[C:15]([C:16](=[O:17])[O:18][CH3:19])[O:20][CH3:21])[cH:13]1.[ClH:40].[Li+:1].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH-:2].[OH2:39]>>[CH2:3]([CH2:4][CH2:5][CH3:6])[O:7][c:8]1[c:9](-[c:22]2[cH:23][c:24]([NH:28][C:29](=[O:30])[NH:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[cH:25][cH:26][cH:27]2)[cH:10][cH:11][c:12]([CH:14]=[C:15]([C:16](=[O:17])[OH:18])[O:20][CH3:21])[cH:13]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 90693608Methyl 3-[3-butoxy-4-[3-(heptylcarbamoylamino)phenyl]phenyl]-2-methoxyprop-2-enoate

Product 1

HCID 68958168
3-[3-Butoxy-4-[3-(heptylcarbamoylamino)phenyl]phenyl]-2-methoxyprop-2-enoic acid

Sources & evidence

ORD record
ord-c644c8d568e849138f446e37bbc4b3f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes