Sodium ion → (4-Tert-butoxycarbonylamino-2'-trifluoromethanesulfonyl-biphenyl-3-yl)-carbamic acid tert-butyl ester

HRID 1567774Notes

Reaction equation

HRID 1567774 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:10][c:11]([B:14]2[O:15][C:16]([CH3:17])([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22]2)[cH:12][cH:13]1)=[O:31].[CH3:52][O:53][CH2:54][CH2:55][O:56][CH3:57].[Cl:32][c:33]1[c:34]([S:39](=[O:40])(=[O:41])[C:42]([F:43])([F:44])[F:45])[cH:35][cH:36][cH:37][cH:38]1.[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[OH2:58]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:10][c:11](-[c:33]2[c:34]([S:39](=[O:40])(=[O:41])[C:42]([F:43])([F:44])[F:45])[cH:35][cH:36][cH:37][cH:38]2)[cH:12][cH:13]1)=[O:31]

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 43353971-Chloro-2-((trifluoromethyl)sulfonyl)benzeneHCID 57934984[2-Tert-butoxycarbonylamino-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-carbamic acid tert-butyl ester

Product 1

HCID 57934932(4-Tert-butoxycarbonylamino-2'-trifluoromethanesulfonyl-biphenyl-3-yl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-1a93014dd834469b9b061c42e1901fff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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