Sodium ion → 4-Methoxy-5-methyl-6-(5-cyclohexylcarbonyloxy-1-ethylpyrazol-4-yl)carbonylthiochroman-1,1-dioxide

HRID 123500

Reaction equation

HRID 123500 reaction equation
[CH2:53]([Cl:54])[Cl:55].[CH3:1][O:2][CH:3]1[CH2:4][CH2:5][S:6](=[O:24])(=[O:25])[c:7]2[cH:8][cH:9][c:10]([C:14](=[O:15])[c:16]3[cH:17][n:18][n:19]([CH2:22][CH3:23])[c:20]3[OH:21])[c:11]([CH3:13])[c:12]21.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH:38]1([C:44](=[O:45])[Cl:46])[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[nH:26]1[cH:27][cH:28][cH:29][n:30]1>>[CH3:1][O:2][CH:3]1[CH2:4][CH2:5][S:6](=[O:24])(=[O:25])[c:7]2[cH:8][cH:9][c:10]([C:14](=[O:15])[c:16]3[cH:17][n:18][n:19]([CH2:22][CH3:23])[c:20]3[O:21][C:44]([CH:38]3[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]3)=[O:45])[c:11]([CH3:13])[c:12]21

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 1048PyrazoleHCID 6344DichloromethaneHCID 8471TriethylamineHCID 19660Carbonate IonHCID 75938Cyclohexanecarbonyl chlorideHCID 178418308HCID 178418308, compound

Product 1

HCID 196937764-Methoxy-5-methyl-6-(5-cyclohexylcarbonyloxy-1-ethylpyrazol-4-yl)carbonylthiochroman-1,1-dioxide

Sources & evidence

ORD record
ord-090e74eecc7e4f499b788d40eb9e1b81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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