Methanol → 5-(2-Hydroxy-phenyl)-isoxazole-3-carboxylic acid {2-[4-(2-chloro-phenylamino)-piperidin-1-yl]-2-oxo-ethyl}-amide

HRID 669064Notes

Reaction equation

HRID 669064 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:42][OH:43].[Cl:1][c:2]1[c:3]([NH:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][NH:17][C:18](=[O:19])[c:20]3[n:21][o:22][c:23](-[c:25]4[c:26]([O:31][CH2:32][c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[cH:27][cH:28][cH:29][cH:30]4)[cH:24]3)=[O:39])[CH2:13][CH2:14]2)[cH:4][cH:5][cH:6][cH:7]1.[H:40][H:41]>>[Cl:1][c:2]1[c:3]([NH:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][NH:17][C:18](=[O:19])[c:20]3[n:21][o:22][c:23](-[c:25]4[c:26]([OH:31])[cH:27][cH:28][cH:29][cH:30]4)[cH:24]3)=[O:39])[CH2:13][CH2:14]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 887MethanolHCID 8028TetrahydrofuranHCID 57874511HCID 57874511, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 1359151885-(2-Hydroxy-phenyl)-isoxazole-3-carboxylic acid {2-[4-(2-chloro-phenylamino)-piperidin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-44a95f1eb72742418873bbb9a899e95a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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