Acetone → HCID 53826538, compound

HRID 299603Notes

Reaction equation

HRID 299603 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7](-[c:10]2[o:11][c:12]3[c:13]([cH:14]2)[cH:15][c:16]([O:19][CH2:20][c:21]2[c:22]([O:23][CH2:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:32][cH:33][c:34]([O:36][CH2:37][CH2:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:35]2)[cH:17][cH:18]3)[s:8][cH:9]1.[C:50](#[N:51])[CH3:52].[CH3:45][S:46](=[O:47])(=[O:48])[OH:49].[CH3:53][C:54](=[O:55])[CH3:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7](-[c:10]2[o:11][c:12]3[c:13]([cH:14]2)[cH:15][c:16]([O:19][CH2:20][c:21]2[c:22]([O:23][CH2:24][C:25](=[O:26])[OH:27])[cH:32][cH:33][c:34]([O:36][CH2:37][CH2:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:35]2)[cH:17][cH:18]3)[s:8][cH:9]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 17822415HCID 17822415, compound

Product 1

HCID 53826538HCID 53826538, compound

Sources & evidence

ORD record
ord-34e8a38d16e04e31a6fc30cf23bacf0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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