Ammonium → Methanesulfonic acid 3-(4-bromo-2-methyl-phenyl)-4-tert-butoxycarbonylamino-butyl ester

HRID 170622Notes

Reaction equation

HRID 170622 reaction equation
[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11]([NH:12][CH2:13][CH:14]([CH2:15][CH2:16][OH:17])[c:18]1[c:19]([CH3:25])[cH:20][c:21]([Br:24])[cH:22][cH:23]1)=[O:26].[Cl-:27].[Cl:29][CH2:30][Cl:31].[NH4+:28].[S:1](=[O:2])(=[O:3])([CH3:4])[Cl:5]>>[S:1](=[O:2])(=[O:3])([CH3:4])[O:17][CH2:16][CH2:15][CH:14]([CH2:13][NH:12][C:11]([O:10][C:6]([CH3:7])([CH3:8])[CH3:9])=[O:26])[c:18]1[c:19]([CH3:25])[cH:20][c:21]([Br:24])[cH:22][cH:23]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 312ChlorideHCID 6344DichloromethaneHCID 31297Methanesulfonyl chlorideHCID 66877268[2-(4-Bromo-2-methyl-phenyl)-4-hydroxy-butyl]-carbamic acid tert-butyl ester

Product 1

HCID 86621498Methanesulfonic acid 3-(4-bromo-2-methyl-phenyl)-4-tert-butoxycarbonylamino-butyl ester

Sources & evidence

ORD record
ord-af228e84f46d4591851d8af2aadf4276
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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