Diethyl Ether → Methanesulfonic Acid

HRID 1552735Notes

Reaction equation

HRID 1552735 reaction equation
[CH3:1][CH2:2][O:3][CH2:4][CH3:5].[CH3:41][C:42]#[N:43].[CH3:6][S:7]([OH:8])(=[O:9])=[O:10].[NH2:11][C:12]1=[N:21][S:20][CH2:19][c:18]2[c:14]3[c:13]1[n:29][n:28]([CH2:30][c:31]1[n:32][cH:33][c:34]([CH3:40])[c:35]([O:38][CH3:39])[c:36]1[Cl:37])[n:27][c:15]-3[cH:16][c:17]2[CH2:22][C:23](=[O:24])[NH:25][CH3:26]>>[CH3:6][S:7](=[O:8])(=[O:9])[OH:10].[NH2:11][C:12]1=[N:21][S:20][CH2:19][c:18]2[c:14]3[c:13]1[n:29][n:28]([CH2:30][c:31]1[n:32][cH:33][c:34]([CH3:40])[c:35]([O:38][CH3:39])[c:36]1[Cl:37])[n:27][c:15]-3[cH:16][c:17]2[CH2:22][C:23](=[O:24])[NH:25][CH3:26]

Participants

6

Reactant 4

HCID 3283Diethyl EtherHCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 666180742-{4-Amino-2-[(3-chloro-4-methoxy-5-methylpyridin-2-yl)methyl]-2,7-dihydro-6-thia-1,2,3,5-tetraazabenzo[cd]azulen-8-yl}-N-methylacetamide

Product 2

HCID 6395Methanesulfonic AcidHCID 666180742-{4-Amino-2-[(3-chloro-4-methoxy-5-methylpyridin-2-yl)methyl]-2,7-dihydro-6-thia-1,2,3,5-tetraazabenzo[cd]azulen-8-yl}-N-methylacetamide

Sources & evidence

ORD record
ord-cf7df4582d3c4318a0fc2e12fbaf6a27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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