Toluene → HCID 21283364, compound

HRID 305840Notes

Reaction equation

HRID 305840 reaction equation
[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:7][S:8]([OH:9])(=[O:10])=[O:11].[Cl:12][CH2:13][CH2:14][CH2:15][O:16][c:17]1[cH:18][cH:19][cH:20][c:21]2[c:24]1[CH:23]=[C:22]2[CH2:25][OH:26]>>[CH2:1]1[CH2:2][CH2:3][N:4]([CH2:25][C:22]2=[CH:23][c:24]3[c:17]([O:16][CH2:15][CH2:14][CH2:13][Cl:12])[cH:18][cH:19][cH:20][c:21]32)[CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 6395Methanesulfonic AcidHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 21283385HCID 21283385, compound

Product 1

HCID 21283364HCID 21283364, compound

Sources & evidence

ORD record
ord-454dca1885144696b0a3dc4e8a93d2e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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