Dimethyl Sulfoxide → HCID 178472991, compound

HRID 1237011Notes

Reaction equation

HRID 1237011 reaction equation
[CH3:47][S:48]([CH3:49])=[O:50].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[c:3]([NH:15][C:16]([c:17]2[c:18]([Cl:36])[cH:19][c:20]([O:23][CH2:24][CH:25]3[O:26][c:27]4[c:28]([cH:32][cH:33][cH:34][cH:35]4)[N:29]([CH3:31])[CH2:30]3)[cH:21][cH:22]2)=[O:37])[cH:4][c:5]([CH:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[OH:14])[cH:6][cH:7]1.[OH2:61].[S:57](=[O:58])(=[O:59])=[O:60].[n:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[Cl:1][c:2]1[c:3]([NH:15][C:16]([c:17]2[c:18]([Cl:36])[cH:19][c:20]([O:23][CH2:24][CH:25]3[O:26][c:27]4[c:28]([cH:32][cH:33][cH:34][cH:35]4)[N:29]([CH3:31])[CH2:30]3)[cH:21][cH:22]2)=[O:37])[cH:4][c:5]([C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])=[O:14])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 1049PyridineHCID 8857Ethyl AcetateHCID 24682Sulfur trioxideHCID 81531DiisopropylethylamineHCID 178472992HCID 178472992, compound

Product 1

HCID 178472991HCID 178472991, compound

Sources & evidence

ORD record
ord-1409ac7051a1402988c6bcc95f8609ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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