Dimethyl Sulfoxide → HCID 178495157, compound

HRID 175507Notes

Reaction equation

HRID 175507 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([CH2:42][CH2:43][O:44][S:45]([CH3:46])(=[O:47])=[O:48])[CH2:13][CH:14]([c:34]2[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]2)[CH:15]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]3[c:23]([cH:33]2)[N:24]([CH2:28][CH2:29][CH2:30][O:31][CH3:32])[CH2:25][CH2:26][O:27]3)[CH2:16]1.[CH3:52][S:53]([CH3:54])=[O:55].[Na:49][C:50]#[N:51].[OH2:56]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([CH2:42][CH2:43][C:50]#[N:51])[CH2:13][CH:14]([c:34]2[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]2)[CH:15]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]3[c:23]([cH:33]2)[N:24]([CH2:28][CH2:29][CH2:30][O:31][CH3:32])[CH2:25][CH2:26][O:27]3)[CH2:16]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 178495175HCID 178495175, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 178495157HCID 178495157, compound

Sources & evidence

ORD record
ord-c9badee8a6da4c9794babc94c61778df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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