Hydrochloric Acid → 5-Fluoro-4-[[[3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]methyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxylic acid

HRID 290301

Reaction equation

HRID 290301 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[Cl:53][CH2:54][Cl:55].[ClH:15].[F:28][c:29]1[c:30]([CH:51]=[O:52])[c:31]2[c:32]([n:33][cH:34]1)[n:35]([S:41](=[O:42])(=[O:43])[c:44]1[cH:45][cH:46][c:47]([CH3:48])[cH:49][cH:50]1)[cH:36][c:37]2[C:38](=[O:39])[O-:40].[NH2:16][CH:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH:25]([CH3:26])[CH3:27].[Na+:14]>>[NH:16]([CH:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH:25]([CH3:26])[CH3:27])[CH2:51][c:30]1[c:29]([F:28])[cH:34][n:33][c:32]2[c:31]1[c:37]([C:38](=[O:39])[OH:40])[cH:36][n:35]2[S:41](=[O:42])(=[O:43])[c:44]1[cH:45][cH:46][c:47]([CH3:48])[cH:49][cH:50]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 4532027Tert-butyl 2-amino-3-methylbutanoateHCID 866542085-fluoro-4-formyl-1-tosyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Product 1

HCID 672251715-Fluoro-4-[[[3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]methyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxylic acid

Sources & evidence

ORD record
ord-abf3dd7d1d914b2a9a86bc0f8cdcc6cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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