Sodium ion → [4-[4-[3-Amino-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carbonyl]amino]-3-oxopropyl]phenyl]phenyl] methanesulfonate

HRID 833478Notes

Reaction equation

HRID 833478 reaction equation
[CH3:30][S:31](=[O:32])(=[O:33])[O:34][c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[CH3:50][C:51]#[N:52].[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([I:11])[cH:9][cH:10]1)[NH:12][C:13](=[O:14])[C:15]1([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1)=[O:29].[Na+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49]>>[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:38]2[cH:37][cH:36][c:35]([O:34][S:31]([CH3:30])(=[O:32])=[O:33])[cH:40][cH:39]2)[cH:9][cH:10]1)[NH:12][C:13](=[O:14])[C:15]1([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1)=[O:29]

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 441185724-(Methylsulfonyloxy)phenylboronic acidHCID 68431026tert-butyl N-[4-[[1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate

Product 1

HCID 72328352[4-[4-[3-Amino-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carbonyl]amino]-3-oxopropyl]phenyl]phenyl] methanesulfonate

Sources & evidence

ORD record
ord-ce6025611b884092a4ff6a76adfae84b
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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