1-(Phenylmethyl) 4-carboxybenzeneacetate → HCID 178488487, compound

HRID 2136455Notes

Reaction equation

HRID 2136455 reaction equation
[CH2:1]([O:2][C:3]([CH2:4][NH:5][c:6]1[cH:7][c:8]([O:9][CH3:10])[cH:11][cH:12][c:13]1[CH:14]1[CH2:15][CH2:16][c:17]2[cH:18][c:19]([O:20][C:21](=[O:22])[C:23]([CH3:24])([CH3:25])[CH3:26])[cH:27][cH:28][c:29]2[CH2:30]1)=[O:31])[CH3:32].[CH2:33]([O:34][C:35]([CH2:36][c:37]1[cH:38][cH:39][c:40]([C:41]([OH:42])=[O:43])[cH:44][cH:45]1)=[O:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH2:53]([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[O:60][C:61](=[O:62])[CH2:63][c:64]1[cH:65][cH:66][c:67]([C:68](=[O:69])[CH2:70][CH2:71][O:72][C:73](=[O:74])[CH2:75][NH:76][c:77]2[c:78]([CH:85]3[CH2:86][c:87]4[cH:88][cH:89][c:90]([O:95][C:96]([C:97]([CH3:98])([CH3:99])[CH3:100])=[O:101])[cH:91][c:92]4[CH2:93][CH2:94]3)[cH:79][cH:80][c:81]([O:83][CH3:84])[cH:82]2)[cH:102][cH:103]1>>[O:60]=[C:61]([OH:62])[CH2:63][c:64]1[cH:65][cH:66][c:67]([C:68](=[O:69])[CH2:70][CH2:71][O:72][C:73](=[O:74])[CH2:75][NH:76][c:77]2[c:78]([CH:85]3[CH2:86][c:87]4[cH:88][cH:89][c:90]([O:95][C:96]([C:97]([CH3:98])([CH3:99])[CH3:100])=[O:101])[cH:91][c:92]4[CH2:93][CH2:94]3)[cH:79][cH:80][c:81]([O:83][CH3:84])[cH:82]2)[cH:102][cH:103]1

Participants

4

Reactant 3

HCID 199660801-(Phenylmethyl) 4-carboxybenzeneacetateHCID 57933970Pivalic acid 6-[2-(ethoxycarbonylmethylamino)-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-yl esterHCID 178488488HCID 178488488, compound

Product 1

HCID 178488487HCID 178488487, compound

Sources & evidence

ORD record
ord-766d3d33653c4fffa34eb819e54a47ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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