Toluene → HCID 53976859, compound

HRID 188263Notes

Reaction equation

HRID 188263 reaction equation
[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[N:12]1([CH2:18][c:19]2[cH:20][c:21]([O:25][CH2:26][CH:27]=[CH:28][CH2:29][NH2:30])[n:22][cH:23][cH:24]2)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1.[OH:1][c:2]1[c:3]([C:7]([O:9][CH2:8][CH3:10])=[O:11])[n:4][o:5][cH:6]1>>[OH:1][c:2]1[c:3]([C:7](=[O:9])[NH:30][CH2:29][CH:28]=[CH:27][CH2:26][O:25][c:21]2[cH:20][c:19]([CH2:18][N:12]3[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]3)[cH:24][cH:23][n:22]2)[n:4][o:5][cH:6]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 13180537Ethyl 4-hydroxyisoxazole-3-carboxylateHCID 534271984-({4-[(Piperidin-1-yl)methyl]pyridin-2-yl}oxy)but-2-en-1-amine

Product 1

HCID 53976859HCID 53976859, compound

Sources & evidence

ORD record
ord-e5b8b54b027e48d793067083a6751500
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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