Ethanol → 3-(4-[2-([10,11-dihydro-5H-dibenzo[a,d]cycloh epten-5-yi]-methyl-amino)-ethoxy]-phenyl)-2-ethoxypropanoic acid

HRID 197045Notes

Reaction equation

HRID 197045 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][N:16]([CH3:17])[CH:18]2[c:19]3[c:20]([cH:29][cH:30][cH:31][cH:32]3)[CH2:21][CH2:22][c:23]3[c:24]2[cH:25][cH:26][cH:27][cH:28]3)[cH:11][cH:12]1)[O:33][CH2:34][CH3:35])=[O:36].[CH3:39][CH2:40][OH:41].[Na+:38].[OH-:37]>>[O:3]=[C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][N:16]([CH3:17])[CH:18]2[c:19]3[c:20]([cH:29][cH:30][cH:31][cH:32]3)[CH2:21][CH2:22][c:23]3[c:24]2[cH:25][cH:26][cH:27][cH:28]3)[cH:11][cH:12]1)[O:33][CH2:34][CH3:35])[OH:36]

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 98700773-(4-[2-([10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl]-methyl-amino)-ethoxy]-phenyl)-2-ethoxypropanoic acid ethyl ester

Product 1

HCID 98688363-(4-[2-([10,11-dihydro-5H-dibenzo[a,d]cycloh epten-5-yi]-methyl-amino)-ethoxy]-phenyl)-2-ethoxypropanoic acid

Sources & evidence

ORD record
ord-4bda7696bb1743f59a0bba00874c7802
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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