Dimethyl Sulfoxide → HCID 178520239, compound

HRID 2319851Notes

Reaction equation

HRID 2319851 reaction equation
[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:44][S:45]([CH3:46])=[O:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[O-:1][N+:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][Br:9])[cH:10][cH:11]1.[OH2:43].[c:19]1([CH2:25][C:26](=[O:27])[NH:28][CH:29]2[CH:30]3[N:31]([CH:32]([C:38](=[O:39])[OH:40])[CH:33]([CH2:36][OH:37])[CH2:34][S:35]3)[C:41]2=[O:42])[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[O-:1][N+:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][O:40][C:38]([CH:32]2[N:31]3[CH:30]([CH:29]([NH:28][C:26]([CH2:25][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)=[O:27])[C:41]3=[O:42])[S:35][CH2:34][CH:33]2[CH2:36][OH:37])=[O:39])[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 660114-Nitrobenzyl bromideHCID 178520237HCID 178520237, compound

Product 1

HCID 178520239HCID 178520239, compound

Sources & evidence

ORD record
ord-cb404cfdc88d4ff4b4ce587def50347b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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