Acetone → HCID 67457252, compound

HRID 1126556Notes

Reaction equation

HRID 1126556 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[cH:10][c:11]([CH2:26][CH2:27][OH:28])[n:12][c:13]([NH:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:14]1[N+:15](=[O:16])[O-:17].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][S:37](=[O:38])(=[O:39])[Cl:40].[CH3:41][S:42]([OH:43])(=[O:44])=[O:45].[CH3:46][O-:47].[CH3:52][C:53](=[O:54])[CH3:55].[Cl:49][CH2:50][Cl:51].[Na+:48]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[cH:10][c:11]([CH2:26][CH2:27][O:28][CH3:29])[n:12][c:13]([NH:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:14]1[N+:15](=[O:16])[O-:17]

Participants

9

Reactant 8

HCID 180AcetoneHCID 923Sodium ionHCID 6344DichloromethaneHCID 6395Methanesulfonic AcidHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 3826051MethoxideHCID 67455110HCID 67455110, compound

Product 1

HCID 67457252HCID 67457252, compound

Sources & evidence

ORD record
ord-b52cbc58304043bab06e83701532a92a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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