Water → 2-(4-{6-Amino-5-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-3-yl}-pyrazol-1-yl)-2-methyl-propionic acid methyl ester

HRID 689433Notes

Reaction equation

HRID 689433 reaction equation
[CH3:21][O:22][C:23]([C:24]([CH3:25])([n:26]1[n:27][cH:28][c:29]([B:31]2[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]2)[cH:30]1)[CH3:40])=[O:41].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[Cl:1][c:2]1[c:3]([CH:10]([CH3:11])[O:12][c:13]2[c:14]([NH2:20])[n:15][cH:16][c:17]([I:19])[cH:18]2)[c:4]([Cl:9])[cH:5][cH:6][c:7]1[F:8].[OH2:48]>>[Cl:1][c:2]1[c:3]([CH:10]([CH3:11])[O:12][c:13]2[c:14]([NH2:20])[n:15][cH:16][c:17](-[c:29]3[cH:28][n:27][n:26]([C:24]([C:23]([O:22][CH3:21])=[O:41])([CH3:25])[CH3:40])[cH:30]3)[cH:18]2)[c:4]([Cl:9])[cH:5][cH:6][c:7]1[F:8]

Participants

5

Reactant 4

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 211113953-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-iodopyridin-2-amineHCID 59599416Methyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)propanoate

Product 1

HCID 595994112-(4-{6-Amino-5-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-3-yl}-pyrazol-1-yl)-2-methyl-propionic acid methyl ester

Sources & evidence

ORD record
ord-c7d1a5ce439741139653d5087c2bc195
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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