Hydroxide → 2-[(3'-Isopropyl-6-methoxy-biphenyl-3-carbonyl)-amino]-indane-2-carboxylic acid

HRID 2332427Notes

Reaction equation

HRID 2332427 reaction equation
[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:138][c:139]1[cH:140][cH:141][cH:142][cH:143][cH:144]1.[CH3:15][O:16][C:17](=[O:18])[C:19]1([NH:28][C:29](=[O:30])[c:31]2[cH:32][c:33](-[c:39]3[cH:40][c:41]([CH:45]([CH3:46])[CH3:47])[cH:42][cH:43][cH:44]3)[c:34]([O:37][CH3:38])[cH:35][cH:36]2)[CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[CH2:27]1.[CH:1]([c:2]1[cH:3][c:4]([B:5]([OH:6])[OH:7])[cH:8][cH:9][cH:10]1)([CH3:11])[CH3:12].[Cs+:14].[F-:13].[Li+:48].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH-:49].[OH2:60].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[O:16]=[C:17]([OH:18])[C:19]1([NH:28][C:29](=[O:30])[c:31]2[cH:32][c:33](-[c:39]3[cH:40][c:41]([CH:45]([CH3:46])[CH3:47])[cH:42][cH:43][cH:44]3)[c:34]([O:37][CH3:38])[cH:35][cH:36]2)[CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[CH2:27]1

Participants

12

Reactant 11

HCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 28179Fluoride IonHCID 28486Lithium ionHCID 104967Cesium cationHCID 27734783-Isopropylbenzeneboronic acidHCID 670766992-[(3'-Isopropyl-6-methoxy-biphenyl-3-carbonyl)-amino]-indane-2-carboxylic acid methyl esterHCID 178420554HCID 178420554, compound

Product 1

HCID 444787752-[(3'-Isopropyl-6-methoxy-biphenyl-3-carbonyl)-amino]-indane-2-carboxylic acid

Sources & evidence

ORD record
ord-1e3c980faecc44b88cd388ce5047a1b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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