Bromide ion → N-Benzyl-N-[2-benzyloxy-5-(2-bromoacetyl)phenyl]methanesulfonamide

HRID 194742Notes

Reaction equation

HRID 194742 reaction equation
[Br-:1].[Br-:2].[Br-:3].[C:34]([CH3:35])(=[O:36])[c:37]1[cH:38][cH:39][c:40]([O:55][CH2:56][c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:41]([N:43]([S:44](=[O:45])(=[O:46])[CH3:47])[CH2:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:42]1.[C:63](=[O:64])([OH:65])[O-:66].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[Na+:67].[c:14]1([N+:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20][cH:21][cH:22][cH:23]1.[c:24]1([N+:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][cH:30][cH:31][cH:32][cH:33]1.[c:4]1([N+:5]([CH3:6])([CH3:7])[CH3:8])[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[Br:1][CH2:35][C:34](=[O:36])[c:37]1[cH:38][cH:39][c:40]([O:55][CH2:56][c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:41]([N:43]([S:44](=[O:45])(=[O:46])[CH3:47])[CH2:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:42]1

Participants

7

Reactant 6

HCID 259Bromide ion3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 15914Phenyltrimethylammonium3×HCID 12363924N-(5-Acetyl-2-benzyloxyphenyl)-N-benzylmethanesulfonamide

Product 1

HCID 86607679N-Benzyl-N-[2-benzyloxy-5-(2-bromoacetyl)phenyl]methanesulfonamide

Sources & evidence

ORD record
ord-0ea0c0f7cac84dc999c3990e0bb2ae11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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