Sodium ion → 2-Tert-butoxycarbonylamino-5-(2-tert-butylaminosulfonyl-phenyl)-phenyl carbamic acid tert-butyl ester

HRID 1119270Notes

Reaction equation

HRID 1119270 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:10][cH:11][c:12]([Br:14])[cH:13]1)=[O:23].[C:24]([CH3:25])([CH3:26])([CH3:27])[NH:28][S:29](=[O:30])(=[O:31])[c:32]1[c:33]([B:38]([OH:39])[OH:40])[cH:34][cH:35][cH:36][cH:37]1.[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[Fe+2:92].[Na+:45].[Na+:46].[Pd:53]([Cl:54])[Cl:55].[cH:56]1[cH:57][cH:58][c:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c-:67]2[cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73]1.[cH:74]1[cH:75][cH:76][c:77]([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c-:85]2[cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:10][cH:11][c:12](-[c:33]2[c:32]([S:29]([NH:28][C:24]([CH3:25])([CH3:26])[CH3:27])(=[O:30])=[O:31])[cH:37][cH:36][cH:35][cH:34]2)[cH:13]1)=[O:23]

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 27284Ferrous cationHCID 4997616Boronic acid, B-(2-(((1,1-dimethylethyl)amino)sulfonyl)phenyl)-HCID 130078031,2-Di(tert-Butyloxycarbonylamino)-4-bromobenzeneHCID 178420532HCID 178420532, compound2×

Product 1

HCID 579350332-Tert-butoxycarbonylamino-5-(2-tert-butylaminosulfonyl-phenyl)-phenyl carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-14eca6eb25384cba8f6790ca113b7959
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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