Dimethyl Sulfoxide → HCID 77526805, compound

HRID 2136163Notes

Reaction equation

HRID 2136163 reaction equation
[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:31][N:32]([CH:33]1[CH2:34][NH:35][CH2:36][CH2:37]1)[CH3:38].[CH3:44][S:45](=[O:46])[CH3:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:1]1([c:4]2[o:5][c:6]3[c:7]([n:8]2)[c:9]([C:22]#[N:23])[c:10]([CH3:21])[c:11](-[c:14]2[n:15][c:16]([O:19][CH3:20])[s:17][cH:18]2)[c:12]3[F:13])[CH2:2][CH2:3]1.[Na+:39].[OH:40][C:41](=[O:42])[O-:43]>>[CH:1]1([c:4]2[o:5][c:6]3[c:7]([n:8]2)[c:9]([C:22]#[N:23])[c:10]([CH3:21])[c:11](-[c:14]2[n:15][c:16]([O:19][CH3:20])[s:17][cH:18]2)[c:12]3[N:35]2[CH2:34][CH:33]([N:32]([CH3:31])[CH3:38])[CH2:37][CH2:36]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27585193-(Dimethylamino)pyrrolidineHCID 68584412HCID 68584412, compound

Product 1

HCID 77526805HCID 77526805, compound

Sources & evidence

ORD record
ord-5bc6827e3d4d4d6f8efea9aa823058b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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