Sodium ion → (3-amino-2,6-difluoro-phenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methanone

HRID 2150322Notes

Reaction equation

HRID 2150322 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[NH:10][c:11]1[c:12]([F:30])[c:13]([C:18](=[O:19])[c:20]2[cH:21][nH:22][c:23]3[n:24][cH:25][c:26]([Cl:29])[cH:27][c:28]23)[c:14]([F:17])[cH:15][cH:16]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:31]1.[Na+:33].[OH-:32].[OH2:34]>>[NH2:10][c:11]1[c:12]([F:30])[c:13]([C:18](=[O:19])[c:20]2[cH:21][nH:22][c:23]3[n:24][cH:25][c:26]([Cl:29])[cH:27][c:28]23)[c:14]([F:17])[cH:15][cH:16]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 58087931[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-carbamic acid benzyl ester

Product 1

HCID 58086398(3-amino-2,6-difluoro-phenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methanone

Sources & evidence

ORD record
ord-192da5d5f30a4dc789e30cc8e4133761
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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