Dimethyl Sulfoxide → HCID 53662609, compound

HRID 2147214Notes

Reaction equation

HRID 2147214 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:31][N+:32]1([O-:33])[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[CH3:46][S:47]([CH3:48])=[O:49].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([cH:8][n:9][c:10]2[cH:11]1)[c:12]1[c:13]([nH:14]3)[CH2:15][CH2:16][NH:17][CH2:18]1.[Cs+:43].[Cs+:44].[F:19][c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:29][cH:30]1.[OH2:45]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([cH:8][n:9][c:10]2[cH:11]1)[c:12]1[c:13]([nH:14]3)[CH2:15][CH2:16][N:17]([c:20]2[cH:21][cH:22][c:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:29][cH:30]2)[CH2:18]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 19660Carbonate IonHCID 67976Benzoic acid, 4-fluoro-, ethyl esterHCID 82029Methyl morpholine oxideHCID 104967Cesium cation2×HCID 14069786HCID 14069786, compound

Product 1

HCID 53662609HCID 53662609, compound

Sources & evidence

ORD record
ord-fde9c3e272134ffeaddf7e67cc5c1317
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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