Dichloromethane → 3-Ethyl-4-[2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoic acid

HRID 699407Notes

Reaction equation

HRID 699407 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23]([c:24]1[cH:25][c:26]([CH2:41][CH3:42])[c:27]([O:31][CH2:32][CH:33]([CH2:34][NH:35][C:36]([CH2:37][OH:38])=[O:39])[OH:40])[c:28]([CH3:30])[cH:29]1)=[O:43].[C:1]([O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([CH3:8])[c:9]([OH:10])[c:11]([CH2:12][CH3:13])[cH:14]1)([CH3:15])([CH3:16])[CH3:17].[CH2:61]([c:62]1[cH:63][c:64]([C:65](=[NH:66])[NH:67][OH:68])[cH:69][c:70]([CH3:71])[c:72]1[O:73][CH2:74][CH:75]([OH:76])[CH2:77][NH:78][C:79](=[O:80])[CH2:81][OH:82])[CH3:83].[Cl:84][CH2:85][Cl:86].[F:87][C:88]([F:89])([F:90])[C:91]([OH:92])=[O:93].[NH2:44][CH2:45][CH:46]([OH:47])[CH2:48][O:49][c:50]1[c:51]([CH3:52])[cH:53][c:54]([C:55]#[N:56])[cH:57][c:58]1[CH2:59][CH3:60]>>[O:22]=[C:23]([c:24]1[cH:25][c:26]([CH2:41][CH3:42])[c:27]([O:31][CH2:32][CH:33]([CH2:34][NH:35][C:36]([CH2:37][OH:38])=[O:39])[OH:40])[c:28]([CH3:30])[cH:29]1)[OH:43]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 669319533-Ethyl-4-[2-hydroxy-3-(2-hydroxy-acetylamino)-propoxy]-5-methyl-benzoic acid tert. butyl esterHCID 669319843-Ethyl-4-hydroxy-5-methyl-benzoic acid tert-butyl esterHCID 669321894-(3-Amino-2-hydroxypropoxy)-3-ethyl-5-methylbenzonitrileHCID 178436632HCID 178436632, compound

Product 1

HCID 669319583-Ethyl-4-[2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoic acid

Sources & evidence

ORD record
ord-cabff06448fa484aa97d565bc40555af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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