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Acetic Acid → 3-[3'-(3-Heptyl-1-methylureido)biphenyl-4-yl]acrylic acid

HRID 1127234
Notes
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Reaction equation

HRID 1127234 reaction equation
[C:42]([O:43][CH2:44][CH3:45])(=[O:46])[CH3:47].[CH2:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[NH:10][C:11]([N:12]([CH3:13])[c:14]1[cH:15][c:16](-[c:20]2[cH:21][cH:22][c:23]([CH:26]=[CH:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:24][cH:25]2)[cH:17][cH:18][cH:19]1)=[O:33].[CH3:34][OH:35].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[CH3:55][C:56](=[O:57])[OH:58].[Na+:2].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH-:1].[OH2:41]>>[CH2:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[NH:10][C:11]([N:12]([CH3:13])[c:14]1[cH:15][c:16](-[c:20]2[cH:21][cH:22][c:23]([CH:26]=[CH:27][C:28](=[O:29])[OH:30])[cH:24][cH:25]2)[cH:17][cH:18][cH:19]1)=[O:33]
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 8900Heptane
HCID 67272510Ethyl 3-[3'-(3-heptyl-1-methylureido)biphenyl-4-yl]acrylate

Product 1

HCID 672720643-[3'-(3-Heptyl-1-methylureido)biphenyl-4-yl]acrylic acid

Sources & evidence

ORD record
ord-59c8eb61f40442808b2d9d3c7b26da5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes