Bicarbonate Ion → 5-amino-1-[5-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-pyrazole-3-carboxylic acid ethyl ester

HRID 310870Notes

Reaction equation

HRID 310870 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8](-[c:12]2[c:13]([CH3:21])[cH:14][cH:15][c:16]([C:18](=[O:19])[OH:20])[cH:17]2)[c:9]([NH2:11])[cH:10]1.[NH2:22][c:23]1[c:24]([O:38][CH3:39])[c:25]([NH:33][S:34](=[O:35])(=[O:36])[CH3:37])[cH:26][c:27]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:28]1.[Na+:44].[O-:40][C:41]([OH:42])=[O:43].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8](-[c:12]2[c:13]([CH3:21])[cH:14][cH:15][c:16]([C:18](=[O:20])[NH:22][c:23]3[c:24]([O:38][CH3:39])[c:25]([NH:33][S:34](=[O:35])(=[O:36])[CH3:37])[cH:26][c:27]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:28]3)[cH:17]2)[c:9]([NH2:11])[cH:10]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 10214710N-(3-amino-5-tert-butyl-2-methoxy-phenyl)-methanesulfonamideHCID 57559704HCID 57559704, compound

Product 1

HCID 116995445-amino-1-[5-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-pyrazole-3-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-7e2e4ceb5bcd437f9575cfcc63d9f3ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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