Dimethyl Sulfoxide → HCID 178492491, compound

HRID 116069Notes

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:48][CH2:49][CH:50]([CH2:51][O:52][S:54]([c:55]2[cH:56][cH:57][c:58]([CH3:59])[cH:60][cH:61]2)(=[O:62])=[O:63])[OH:53])[CH:11]([c:28]2[cH:29][cH:30][c:31]([O:34][CH2:35][CH2:36][CH2:37][O:38][c:39]3[c:40]([N+:45](=[O:46])[O-:47])[cH:41][cH:42][cH:43][cH:44]3)[cH:32][cH:33]2)[CH:12]([O:14][CH2:15][c:16]2[cH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[c:24]([O:26][CH3:27])[cH:25]2)[CH2:13]1.[CH3:66][S:67]([CH3:68])=[O:69].[Na+:65].[OH-:64]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:48][CH2:49][CH:50]2[CH2:51][O:52]2)[CH:11]([c:28]2[cH:29][cH:30][c:31]([O:34][CH2:35][CH2:36][CH2:37][O:38][c:39]3[c:40]([N+:45](=[O:46])[O-:47])[cH:41][cH:42][cH:43][cH:44]3)[cH:32][cH:33]2)[CH:12]([O:14][CH2:15][c:16]2[cH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[c:24]([O:26][CH3:27])[cH:25]2)[CH2:13]1

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 923Sodium ion

HCID 961Hydroxide

HCID 178492499HCID 178492499, compound

Product 1

HCID 178492491HCID 178492491, compound

Sources & evidence

ORD record: ord-c6d4f804e51948e59d0dbd9f38e1b950
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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