Water → Methanesulfonic Acid

HRID 1147467Notes

Reaction equation

HRID 1147467 reaction equation
[CH3:33][C:34]#[N:35].[CH3:36][S:37]([OH:38])(=[O:39])=[O:40].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:1][c:2]1[c:3](-[c:18]2[c:19](=[O:32])[n:20]([CH2:30][CH3:31])[c:21]3[cH:22][c:23]([NH:28][CH3:29])[n:24][cH:25][c:26]3[cH:27]2)[cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:6][cH:7]1.[OH2:41]>>[CH3:36][S:37](=[O:38])(=[O:39])[OH:40].[Cl:1][c:2]1[c:3](-[c:18]2[c:19](=[O:32])[n:20]([CH2:30][CH3:31])[c:21]3[cH:22][c:23]([NH:28][CH3:29])[n:24][cH:25][c:26]3[cH:27]2)[cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:6][cH:7]1

Participants

7

Reactant 5

HCID 962WaterHCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 71584956HCID 71584956, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 71584956HCID 71584956, compound

Sources & evidence

ORD record
ord-a7aa26ab536046ba8ecd7fee84f97ef7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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